def fenics(sim_params, file_inputs, output_params, passive_params, hs_params,
cell_ion_params, monodomain_params, windkessel_params, pso):
i, j = indices(2)
#global i
#global j
# We don't do pressure control simulations, probably will get rid of this.
ispressurectrl = False
#------------------## Load in all information and set up simulation --------
## Assign input/output parameters
output_path = output_params["output_path"][0]
casename = file_inputs["casename"][0]
# Assign parameters for Windkessel
# will be moving circulatory to its own module and pass in dictionary
# similar to cell_ion module
Cao = windkessel_params["Cao"][0]
Cven = windkessel_params["Cven"][0]
Vart0 = windkessel_params["Vart0"][0]
Vven0 = windkessel_params["Vven0"][0]
Rao = windkessel_params["Rao"][0]
Rven = windkessel_params["Rven"][0]
Rper = windkessel_params["Rper"][0]
V_ven = windkessel_params["V_ven"][0]
V_art = windkessel_params["V_art"][0]
# -------- Assign parameters for active force calculation ----------------
filament_compliance_factor = hs_params["myofilament_parameters"][
"filament_compliance_factor"][0]
no_of_states = hs_params["myofilament_parameters"]["num_states"][0]
no_of_attached_states = hs_params["myofilament_parameters"][
"num_attached_states"][0]
no_of_detached_states = no_of_states - no_of_attached_states
no_of_transitions = hs_params["myofilament_parameters"]["num_transitions"][
0]
state_attached = hs_params["myofilament_parameters"]["state_attached"][0]
cb_extensions = hs_params["myofilament_parameters"]["cb_extensions"][0]
k_cb_multiplier = hs_params["myofilament_parameters"]["k_cb_multiplier"][0]
k_cb_pos = hs_params["myofilament_parameters"]["k_cb_pos"][0]
k_cb_neg = hs_params["myofilament_parameters"]["k_cb_neg"][0]
cb_number_density = hs_params["cb_number_density"][0]
alpha_value = hs_params["myofilament_parameters"]["alpha"][0]
x_bin_min = hs_params["myofilament_parameters"]["bin_min"][0]
x_bin_max = hs_params["myofilament_parameters"]["bin_max"][0]
x_bin_increment = hs_params["myofilament_parameters"]["bin_width"][0]
hsl_min_threshold = hs_params["myofilament_parameters"]["passive_l_slack"][
0]
hsl_max_threshold = hs_params["myofilament_parameters"][
"hsl_max_threshold"][0]
xfiber_fraction = hs_params["myofilament_parameters"]["xfiber_fraction"][0]
## --------- Set up information for active force calculation --------------
# Create x interval for cross-bridges
xx = np.arange(x_bin_min, x_bin_max + x_bin_increment, x_bin_increment)
# Define number of intervals cross-bridges are defined over
no_of_x_bins = np.shape(xx)[0]
# Define the length of the populations vector
n_array_length = no_of_attached_states * no_of_x_bins + no_of_detached_states + 2 # +2 for binding sites on/off
# Need to work out a general way to set this based on the scheme
n_vector_indices = [[0, 0], [1, 1], [2, 2 + no_of_x_bins - 1]]
#------------ Start setting up simulation ---------------------------------
sim_duration = sim_params["sim_duration"][0]
save_output = sim_params["save_output"][0]
step_size = sim_params["sim_timestep"][0]
loading_number = sim_params["loading_number"][0]
if sim_params["sim_geometry"][0] == "ventricle" or sim_params[
"sim_geometry"][0] == "ventricle_lclee_2" or sim_params[
"sim_geometry"][0] == "ventricle_physloop":
# For ventricle for now, specify number of cardiac cycles
cycles = sim_params["sim_type"][1]
meshfilename = sim_params["sim_type"][2]
# Cardiac cycle length and number of cycles will be general
# For now, just including this info in the input file
BCL = sim_duration # ms
hsl0 = hs_params["initial_hs_length"][
0] # this is now set when creating mesh
no_of_time_steps = int(cycles * BCL / step_size)
no_of_cell_time_steps = int(BCL / step_size)
deg = 4
parameters["form_compiler"]["quadrature_degree"] = deg
parameters["form_compiler"]["representation"] = "quadrature"
# Clear out any old results files
os.system("rm " + output_path + "*.pvd")
os.system("rm " + output_path + "*.vtu")
#--------------- Load in mesh, initialize things from it -------------------
mesh = Mesh()
f = HDF5File(mpi_comm_world(), meshfilename, 'r')
f.read(mesh, casename, False)
if casename == "ellipsoidal":
#loading_number = 25;
ugrid = vtk_py.convertXMLMeshToUGrid(mesh)
ugrid = vtk_py.rotateUGrid(ugrid, sx=0.11, sy=0.11, sz=0.11)
mesh = vtk_py.convertUGridToXMLMesh(ugrid)
#don't need to do the vtk_py mesh stuff
else: #assuming we are using a patient specific mesh
ugrid = vtk_py.convertXMLMeshToUGrid(mesh)
ugrid = vtk_py.rotateUGrid(ugrid, sx=0.1, sy=0.1, sz=0.1)
mesh = vtk_py.convertUGridToXMLMesh(ugrid)
no_of_int_points = 14 * np.shape(mesh.cells())[0]
print "num_int_points" + str(no_of_int_points)
facetboundaries = MeshFunction("size_t", mesh, 2)
edgeboundaries = MeshFunction("size_t", mesh, 1)
# set surface id numbers:
topid = 4
LVendoid = 2
epiid = 1
# Define referential facet normal
N = FacetNormal(mesh)
# Define spatial coordinate system used in rigid motion constraint
X = SpatialCoordinate(mesh)
# --------- Initialize finite elements -----------------------------------
# Vector element at gauss points (for fibers)
VQuadelem = VectorElement("Quadrature",
mesh.ufl_cell(),
degree=deg,
quad_scheme="default")
VQuadelem._quad_scheme = 'default'
# General quadrature element whose points we will evaluate myosim at
Quadelem = FiniteElement("Quadrature",
tetrahedron,
degree=deg,
quad_scheme="default")
Quadelem._quad_scheme = 'default'
# Vector element for displacement
Velem = VectorElement("CG", mesh.ufl_cell(), 2, quad_scheme="default")
Velem._quad_scheme = 'default'
# Quadrature element for pressure
Qelem = FiniteElement("CG", mesh.ufl_cell(), 1, quad_scheme="default")
Qelem._quad_scheme = 'default'
# Real element for rigid body motion boundary condition
Relem = FiniteElement("Real", mesh.ufl_cell(), 0, quad_scheme="default")
Relem._quad_scheme = 'default'
# Mixed element for rigid body motion. One each for x, y displacement. One each for
# x, y, z rotation
VRelem = MixedElement([Relem, Relem, Relem, Relem, Relem])
# ------- Define function spaces on mesh using above elements --------------
# Quadrature space for information needed at gauss points, such as
# hsl, cb_force, passive forces, etc.
Quad = FunctionSpace(mesh, Quadelem)
# Function space for myosim populations
Quad_vectorized_Fspace = FunctionSpace(
mesh, MixedElement(n_array_length * [Quadelem]))
# Function space for local coordinate system (fiber, sheet, sheet-normal)
fiberFS = FunctionSpace(mesh, VQuadelem)
# Mixed function space for displacement, pressure, rigid body constraint
if (ispressurectrl):
W = FunctionSpace(mesh, MixedElement([Velem, Qelem, VRelem]))
else:
W = FunctionSpace(mesh, MixedElement([Velem, Qelem, Relem, VRelem]))
# V isn't used? Could define function spaces V: Velem, Q:Qelem,VR: VRelem, then W = V*W*VR
# but below W is explicitly defined using the elements?
# could define these once and use them for all projections
#V = VectorFunctionSpace(mesh, 'CG', 2)
#TF = TensorFunctionSpace(mesh, 'DG', 1)
#Q = FunctionSpace(mesh,'CG',1)
# ------ Initalize functions on above spaces -------------------------------
# fiber, sheet, and sheet-normal functions
f0 = Function(fiberFS)
print f0.vector().array()
print np.shape(f0.vector())
#print "free indices of f0 " + str(f0.free_indices())
s0 = Function(fiberFS)
n0 = Function(fiberFS)
# function for original hsl distribution
hsl0_transmural = Function(Quad)
# These are now functions because they don't have to be uniform
c_param = Function(Quad)
c2_param = Function(Quad)
c3_param = Function(Quad)
# Setting the value of the passive functions
c_param.vector()[:] = passive_params["c"][0]
c2_param.vector()[:] = passive_params["c2"][0]
c3_param.vector()[:] = passive_params["c3"][0]
# Go ahead and read in rest of info from mesh file and close
# mesh lclee created doesn't have hsl0 variation
f.read(hsl0_transmural, casename + "/" + "hsl0")
f.read(f0, casename + "/" + "eF")
f.read(s0, casename + "/" + "eS")
f.read(n0, casename + "/" + "eN")
# read in more mesh info, using MeshFunction for these
f.read(facetboundaries, casename + "/" + "facetboundaries")
f.read(edgeboundaries, casename + "/" + "edgeboundaries")
# finished with the mesh file, close it
f.close()
#print f0[0]
#print np.shape(f0.vector().array())
# define rest of needed functions
# mixed function for solver
w = Function(W)
# define trial function
dw = TrialFunction(W)
# define test function
wtest = TestFunction(W)
# separate out individual functions for displacement, pressure, bdry
if (ispressurectrl):
du, dp, dc11 = TrialFunctions(W)
(u, p, c11) = split(w)
(v, q, v11) = TestFunctions(W)
else:
du, dp, dpendo, dc11 = TrialFunctions(W)
(u, p, pendo, c11) = split(w)
#(u,p, pendo,c11,lm11) = w.split(True)
(v, q, qendo, v11) = TestFunctions(W)
# function for myosim populations
y_vec = Function(Quad_vectorized_Fspace)
# not explicitly defined as a function, but product
#hsl = sqrt(dot(f0, Cmat*f0))*hsl0_transmural
# Store old hsl and use for calculation of delta_hsl
hsl_old = Function(Quad)
# ------- Set up files for saving information -----------------------------
# save initial mesh information
File(output_path + "facetboundaries.pvd") << facetboundaries
File(output_path + "edgeboundaries.pvd") << edgeboundaries
File(output_path + "fiber.pvd") << project(
f0, VectorFunctionSpace(mesh, "CG", 1))
File(output_path + "sheet.pvd") << project(
s0, VectorFunctionSpace(mesh, "CG", 1))
File(output_path + "sheet-normal.pvd") << project(
n0, VectorFunctionSpace(mesh, "CG", 1))
# Define paraview files to visualize on mesh
displacementfile = File(output_path + "u_disp.pvd")
pk1file = File(output_path + "pk1_act_on_f0.pvd")
hsl_file = File(output_path + "hsl_mesh.pvd")
alpha_file = File(output_path + "alpha_mesh.pvd")
# Instead, initialize file for each of these arrays, and append each time step?
"""calcium_df = pd.DataFrame(np.zeros((no_of_time_steps+1,no_of_int_points)),dtype='f8')
active_stress_df = pd.DataFrame(np.zeros((no_of_time_steps+1,no_of_int_points)),dtype='f8')
myofiber_passive_stress_df = pd.DataFrame(np.zeros((no_of_time_steps+1,no_of_int_points)),dtype='f8')
gucc_fiber_pstress_df = pd.DataFrame(np.zeros((no_of_time_steps+1,no_of_int_points)),dtype='f8')
gucc_trans_pstress_df = pd.DataFrame(np.zeros((no_of_time_steps+1,no_of_int_points)),dtype='f8')
gucc_shear_pstress_df = pd.DataFrame(np.zeros((no_of_time_steps+1,no_of_int_points)),dtype='f8')
alpha_df = pd.DataFrame(np.zeros((no_of_time_steps+1,no_of_int_points)),dtype='f8')
filament_overlap_df = pd.DataFrame(np.zeros((no_of_time_steps+1,no_of_int_points)),dtype='f8')
delta_hsl_df = pd.DataFrame(np.zeros((no_of_time_steps+1,no_of_int_points)),dtype='f8')"""
calcium = np.zeros(no_of_time_steps)
calcium_ds = pd.DataFrame(np.zeros(no_of_int_points), index=None)
calcium_ds = calcium_ds.transpose()
active_stress_ds = pd.DataFrame(np.zeros(no_of_int_points), index=None)
active_stress_ds = active_stress_ds.transpose()
dumped_populations_ds = pd.DataFrame(
np.zeros((no_of_int_points, n_array_length)))
tarray_ds = pd.DataFrame(np.zeros(no_of_time_steps + 1), index=None)
tarray_ds = tarray_ds.transpose()
tarray = np.zeros(no_of_time_steps)
p_f_array_ds = pd.DataFrame(np.zeros(no_of_int_points), index=None)
p_f_array_ds = p_f_array_ds.transpose()
pgf_array_ds = pd.DataFrame(np.zeros(no_of_int_points), index=None)
pgf_array_ds = pgf_array_ds.transpose()
pgt_array_ds = pd.DataFrame(np.zeros(no_of_int_points), index=None)
pgt_array_ds = pgt_array_ds.transpose()
pgs_array_ds = pd.DataFrame(np.zeros(no_of_int_points), index=None)
pgs_array_ds = pgs_array_ds.transpose()
#overlaparray = np.zeros((no_of_time_steps+1,no_of_int_points)) # need from previous step
temp_overlap_ds = pd.DataFrame(np.zeros(no_of_int_points), index=None)
temp_overlap_ds = temp_overlap_ds.transpose()
alpha_array_ds = pd.DataFrame(np.zeros(no_of_int_points), index=None)
alpha_array_ds = alpha_array_ds.transpose()
hsl_array_ds = pd.DataFrame(np.zeros(no_of_int_points), index=None)
hsl_array_ds = hsl_array_ds.transpose()
delta_hsl_array_ds = pd.DataFrame(np.zeros(no_of_int_points), index=None)
delta_hsl_array_ds = delta_hsl_array_ds.transpose()
temp_overlap = np.zeros((no_of_int_points))
y_vec_array_new = np.zeros(((no_of_int_points) * n_array_length))
j3_fluxes = np.zeros((no_of_int_points, no_of_time_steps))
j4_fluxes = np.zeros((no_of_int_points, no_of_time_steps))
y_interp = np.zeros((no_of_int_points + 1) * n_array_length)
#test_cbf_storage = pd.Series(np.zeros(no_of_int_points))
# Saving pressure/volume data
# define communicator
comm = mesh.mpi_comm()
if (MPI.rank(comm) == 0):
fdataPV = open(output_path + "PV_.txt", "w", 0)
"""hsl_data_file = open(output_path + "hsl_file.txt", "w", 0)
cbforce_file = open(output_path + "cbforce.txt", "w", 0)
calcium_data_file = open(output_path + "calcium.txt", "w", 0)
myosim_fiber_passive_file = open(output_path + "fiber_passive.txt", "w", 0)
guccione_fiber_pstress_file = open(output_path + "gucc_fiber.txt", "w", 0)
guccione_trans_pstress_file = open(output_path + "gucc_trans.txt", "w", 0)
guccione_shear_pstress_file = open(output_path + "gucc_shear.txt", "w", 0)
alpha_txt_file = open(output_path + "alpha.txt", "w", 0)
overlap_file = open(output_path + "overlap.txt", "w", 0)"""
#--------- some miscellaneous definitions ----------------------------------
isincomp = True #False
# initialize LV cavity volume
LVCavityvol = Expression(("vol"), vol=0.0, degree=2)
y_vec_array_new = np.zeros(no_of_int_points * n_array_length)
#Press = Expression(("P"), P=0.0, degree=0)
#Kspring = Constant(100)
if (ispressurectrl):
pendo = []
# ------- Dirichlet bdry for fixing base in z ------------------------------
bctop = DirichletBC(
W.sub(0).sub(2), Expression(("0.0"), degree=2), facetboundaries, topid)
bcs = [bctop]
# ------- Set parameters for forms file, where stresses and things are calculated
params = {
"mesh": mesh,
"facetboundaries": facetboundaries,
"facet_normal": N,
"mixedfunctionspace": W,
"mixedfunction": w,
"displacement_variable": u,
"pressure_variable": p,
"lv_volconst_variable": pendo,
"lv_constrained_vol": LVCavityvol,
"LVendoid": LVendoid,
"LVendo_comp": 2,
"fiber": f0,
"sheet": s0,
"sheet-normal": n0,
"incompressible": isincomp,
"Kappa": Constant(1e5)
}
# Update params from loaded in parameters from json file
params.update(passive_params)
params["c"] = c_param
params["c2"] = c2_param
params["c3"] = c3_param
# initialize the forms module
uflforms = Forms(params)
# --------- Calculate quantities from form file used in weak form ----------
LVCavityvol.vol = uflforms.LVcavityvol()
print("cavity-vol = ", LVCavityvol.vol)
# Get deformation gradient
Fmat = uflforms.Fmat()
# Get right cauchy stretch tensor
Cmat = (Fmat.T * Fmat)
# Get Green strain tensor
Emat = uflforms.Emat()
# jacobian of deformation gradient
J = uflforms.J()
# facet normal in current config
n = J * inv(Fmat.T) * N
# integration measure
dx = dolfin.dx(mesh, metadata={"integration_order": 2})
# get passive material strain energy function
Wp = uflforms.PassiveMatSEF()
#Active force calculation------------------------------------------------------
# can we move this to the forms file?
# define 'active_params' as dict and send to forms?
#hsl = sqrt(dot(f0, Cmat*f0))*hsl0_transmural # must project if want to set directly
hsl = sqrt(dot(f0, Cmat * f0)) * hsl0
#f0 = 1/k(U(f0) - f0)
delta_hsl = hsl - hsl_old
cb_force = Constant(0.0)
y_vec_split = split(y_vec)
print "shape of y_vec_split is " + str(np.shape(y_vec_split))
for jj in range(no_of_states):
f_holder = Constant(0.0)
if state_attached[jj] == 1:
cb_ext = cb_extensions[jj]
for k in range(no_of_x_bins):
temp_holder = Constant(0.0)
dxx = xx[k] + delta_hsl * filament_compliance_factor
n_pop = y_vec_split[n_vector_indices[jj][0] + k]
temp_holder = n_pop * k_cb_multiplier[jj] * (
dxx + cb_ext) * conditional(gt(dxx + cb_ext, 0.0),
k_cb_pos, k_cb_neg)
#temp_holder = temp_holder * conditional(gt(abs(dxx),x_bin_max),0.0,1.0)
f_holder = f_holder + temp_holder
#f_holder = f_holder + conditional(gt(temp_holder,0.0),temp_holder,0.0)
f_holder = f_holder * cb_number_density * 1e-9
f_holder = f_holder * alpha_value
cb_force = cb_force + f_holder
cb_force = cb_force * conditional(gt(cb_force, 0.0), 1.0, 0.0)
# use cb_force to form active stress tensor
print np.shape(f0)
Pactive = cb_force * as_tensor(
f0[i] * f0[j], (i, j)) + xfiber_fraction * cb_force * as_tensor(
s0[i] * s0[j], (i, j)) + xfiber_fraction * cb_force * as_tensor(
n0[i] * n0[j], (i, j))
# -------- pre-allocation and initialization -------------------------------
tstep = 0
#t = 0
LVcav_array = np.zeros(no_of_time_steps + 1)
LVcav_array[0] = uflforms.LVcavityvol()
Pcav_array = np.zeros(no_of_time_steps + 1)
Pcav_array[0] = uflforms.LVcavitypressure() * 0.0075
# Contraction phase
#tarray = []
# Get array of cross-bridge populations
y_vec_array = y_vec.vector().get_local()[:]
hsl_array = project(sqrt(dot(f0, Cmat * f0)) * hsl0,
Quad).vector().get_local()[:]
#delta_hsl_array = np.zeros(no_of_int_points)
for init_counter in range(0, n_array_length * no_of_int_points,
n_array_length):
# Initializing myosin heads in the off state
y_vec_array[init_counter] = 1
# Initialize all binding sites to off state
y_vec_array[init_counter - 2] = 1
Pg, Pff, alpha = uflforms.stress()
# Pg is guccione stress tensor as first Piola-Kirchhoff
# Magnitude of bulk passive stress in fiber direction
Pg_fiber = inner(f0, Pg * f0)
Pg_transverse = inner(n0, Pg * n0)
Pg_shear = inner(n0, Pg * f0)
temp_DG = project(Pff,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
temp_DG_1 = project(alpha,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
alphas = interpolate(temp_DG_1, Quad)
alpha_array = alphas.vector().get_local()[:]
temp_DG_2 = project(Pg_fiber,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
pgf = interpolate(temp_DG_2, Quad)
pgf_array = pgf.vector().get_local()[:]
temp_DG_3 = project(Pg_transverse,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
pgt = interpolate(temp_DG_3, Quad)
pgt_array = pgt.vector().get_local()[:]
temp_DG_4 = project(Pg_shear,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
pgs = interpolate(temp_DG_4, Quad)
pgs_array = pgs.vector().get_local()[:]
cb_f_array = project(cb_force, Quad).vector().get_local()[:]
# ------ Define terms for variational problem ------------------------------
# passive material contribution
F1 = derivative(Wp, w, wtest) * dx
# active stress contribution (Pactive is PK1, transform to PK2)
F2 = inner(Fmat * Pactive, grad(v)) * dx
# volumetric stress
if (ispressurectrl):
pressure = Expression(("p"), p=0.0, degree=2)
F3 = inner(pressure * n, v) * ds(LVendoid)
else:
Wvol = uflforms.LVV0constrainedE()
F3 = derivative(Wvol, w, wtest)
# constrain rigid body motion
L4 = inner(as_vector([c11[0], c11[1], 0.0]), u)*dx + \
inner(as_vector([0.0, 0.0, c11[2]]), cross(X, u))*dx + \
inner(as_vector([c11[3], 0.0, 0.0]), cross(X, u))*dx + \
inner(as_vector([0.0, c11[4], 0.0]), cross(X, u))*dx
F4 = derivative(L4, w, wtest)
Ftotal = F1 + F2 + F3 + F4
Jac1 = derivative(F1, w, dw)
Jac2 = derivative(F2, w, dw)
Jac3 = derivative(F3, w, dw)
Jac4 = derivative(F4, w, dw)
Jac = Jac1 + Jac2 + Jac3 + Jac4
# ----- Set up solver, using default but can use LCLee nsolver -------------
solverparams = {
"Jacobian": Jac,
"F": Ftotal,
"w": w,
"boundary_conditions": bcs,
"Type": 0,
"mesh": mesh,
"mode": 0
}
solver = NSolver(solverparams)
# -----------------------------
# Loading phase
#print "memory growth before loading:"
#obg.show_growth()
print("cavity-vol = ", LVCavityvol.vol)
for lmbda_value in range(0, loading_number):
print "Loading phase step = ", lmbda_value
LVCavityvol.vol += 0.004 #LCL change to smaller value
p_cav = uflforms.LVcavitypressure()
V_cav = uflforms.LVcavityvol()
hsl_array_old = hsl_array
#solver.solvenonlinear()
solve(Ftotal == 0,
w,
bcs,
J=Jac,
form_compiler_parameters={"representation": "uflacs"})
hsl_array = project(hsl, Quad).vector().get_local()[:] # for Myosim
temp_DG = project(
Pff,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
for ii in range(np.shape(hsl_array)[0]):
if p_f_array[ii] < 0.0:
p_f_array[ii] = 0.0
delta_hsl_array = hsl_array - hsl_array_old
temp_DG_1 = project(
alpha,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
alphas = interpolate(temp_DG_1, Quad)
alpha_array = alphas.vector().get_local()[:]
temp_DG_2 = project(
Pg_fiber,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
pgf = interpolate(temp_DG_2, Quad)
pgf_array = pgf.vector().get_local()[:]
temp_DG_3 = project(
Pg_transverse,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
pgt = interpolate(temp_DG_3, Quad)
pgt_array = pgt.vector().get_local()[:]
temp_DG_4 = project(
Pg_shear,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
pgs = interpolate(temp_DG_4, Quad)
pgs_array = pgs.vector().get_local()[:]
if (MPI.rank(comm) == 0):
print >> fdataPV, 0.0, p_cav * 0.0075, 0.0, 0.0, V_cav, 0.0, 0.0, 0.0
displacementfile << w.sub(0)
pk1temp = project(inner(f0, Pactive * f0),
FunctionSpace(mesh, 'DG', 1))
pk1temp.rename("pk1temp", "pk1temp")
pk1file << pk1temp
hsl_temp = project(hsl, FunctionSpace(mesh, 'DG', 1))
hsl_temp.rename("hsl_temp", "hsl")
hsl_file << hsl_temp
alpha_temp = project(alphas, FunctionSpace(mesh, 'DG', 0))
alpha_temp.rename("alpha_temp", "alpha_temp")
alpha_file << alpha_temp
print("cavity-vol = ", LVCavityvol.vol)
print("p_cav = ", uflforms.LVcavitypressure())
# Closed-loop phase
# Initialize the half-sarcomere class. Its methods will be used to solve for cell populations
hs = half_sarcomere.half_sarcomere(hs_params, 1)
# Need to create a list of dictionaries for parameters for each gauss point
hs_params_list = [{}] * no_of_int_points
passive_params_list = [{}] * no_of_int_points
# For now, uniform properties
for jj in np.arange(np.shape(hs_params_list)[0]):
hs_params_list[jj] = copy.deepcopy(hs_params)
passive_params_list[jj] = copy.deepcopy(passive_params)
# Initialize cell ion module
cell_ion = cell_ion_driver.cell_ion_driver(cell_ion_params)
# Initialize calcium
calcium[0] = cell_ion.calculate_concentrations(0, 0)
#dumped_populations = np.zeros((no_of_time_steps+1, no_of_int_points, n_array_length))
dumped_populations = np.zeros((no_of_int_points, n_array_length))
counter = 0
cell_counter = 0
cycle = 0
AV_old = 0
MV_old = 1
systole = 0
#print "memory growth before closed loop"
#obg.show_growth()
while (cycle < cycles):
p_cav = uflforms.LVcavitypressure()
V_cav = uflforms.LVcavityvol()
tstep = tstep + step_size
cycle = math.floor(tstep / BCL)
cell_time = tstep - cycle * BCL
if (MPI.rank(comm) == 0):
print "Cycle number = ", cycle, " cell time = ", cell_time, " tstep = ", tstep, " step_size = ", step_size
#print >>fdataPV, tstep, p_cav*0.0075 , V_cav, Myosim.Get_Ca()
Part = 1.0 / Cao * (V_art - Vart0)
Pven = 1.0 / Cven * (V_ven - Vven0)
PLV = p_cav
if (MPI.rank(comm) == 0):
print "P_ven = ", Pven
print "P_LV = ", PLV
print "P_art = ", Part
if (PLV <= Part):
Qao = 0.0
AV_new = 0
else:
Qao = 1.0 / Rao * (PLV - Part)
AV_new = 1
if (PLV >= Pven):
Qmv = 0.0
MV_new = 0
else:
Qmv = 1.0 / Rven * (Pven - PLV)
MV_new = 1
Qper = 1.0 / Rper * (Part - Pven)
if (MV_old == 1 and MV_new == 0):
systole = 1
if (AV_old == 1 and AV_new == 0):
systole = 0
MV_old = MV_new
AV_old = AV_new
if (MPI.rank(comm) == 0):
print "Q_mv = ", Qmv
print "Q_ao = ", Qao
print "Q_per = ", Qper
if (systole == 1):
print "********systole**********"
else:
print "***diastole***"
"""V_cav_prev = V_cav
V_art_prev = V_art
V_ven_prev = V_ven
p_cav_prev = p_cav"""
V_cav = V_cav + step_size * (Qmv - Qao)
V_art = V_art + step_size * (Qao - Qper)
V_ven = V_ven + step_size * (Qper - Qmv)
LVCavityvol.vol = V_cav
if (MPI.rank(comm) == 0):
print "V_ven = ", V_ven
print "V_LV = ", V_cav
print "V_art = ", V_art
#LVcav_array.append(V_cav)
LVcav_array[counter] = V_cav
Pcav_array[counter] = p_cav * 0.0075
#Pcav_array.append(p_cav*0.0075)
if (counter > 0 and (int(counter / no_of_cell_time_steps)
== (counter / no_of_cell_time_steps))):
cell_counter = 0
cell_counter += 1
print "cell_counter = ", cell_counter
"""for i in range(no_of_int_points):
for j in range(n_array_length):
dumped_populations[counter, i, j] = y_vec_array[i * n_array_length + j]"""
# Initialize MyoSim solution holder
#y_vec_array_new = np.zeros(no_of_int_points*n_array_length)
# Update calcium
calcium[counter] = cell_ion.calculate_concentrations(
cycle, tstep) #LCL Commented off
# Now print out volumes, pressures, calcium
if (MPI.rank(comm) == 0):
print >> fdataPV, tstep, p_cav * 0.0075, Part * .0075, Pven * .0075, V_cav, V_ven, V_art, calcium[
counter]
# Quick hack
if counter == 0:
overlap_counter = 1
else:
overlap_counter = counter
# Going to try to loop through integration points in python, not in fenics script
#temp_overlap, y_interp, y_vec_array_new = implement.update_simulation(hs, step_size, delta_hsl_array, hsl_array, y_vec_array, p_f_array, cb_f_array, calcium[counter], n_array_length, cell_time, overlaparray[overlap_counter,:])
#temp_overlap, y_interp, y_vec_array_new = implement.update_simulation(hs, step_size, delta_hsl_array, hsl_array, y_vec_array, p_f_array, cb_f_array, calcium[counter], n_array_length, cell_time)
for mm in np.arange(no_of_int_points):
#print hsl_array[mm]
temp_overlap[mm], y_interp[mm * n_array_length:(
mm +
1) * n_array_length], y_vec_array_new[mm * n_array_length:(
mm + 1) * n_array_length] = implement.update_simulation(
hs, step_size, delta_hsl_array[mm], hsl_array[mm],
y_vec_array[mm * n_array_length:(mm + 1) *
n_array_length], p_f_array[mm],
cb_f_array[mm], calcium[counter], n_array_length,
tstep, hs_params_list[mm])
for i in range(no_of_int_points):
for j in range(n_array_length):
dumped_populations[i, j] = y_interp[i * n_array_length + j]
y_vec_array = y_vec_array_new # for Myosim
#Kurtis moved to here
y_vec.vector()[:] = y_vec_array # for PDE
hsl_array_old = hsl_array
#print hsl_array_old
# Kurtis assigning hsl_old function for newton iteration
hsl_old.vector()[:] = hsl_array_old[:]
###########################################################################
#solver.solvenonlinear()
#++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
solve(Ftotal == 0,
w,
bcs,
J=Jac,
form_compiler_parameters={"representation": "uflacs"})
"""try:
solve(Ftotal == 0, w, bcs, J = Jac, form_compiler_parameters={"representation":"uflacs"})
except:
print "Newton Iteration non-convergence, saving myosim info"
np.save(output_path +"dumped_populations", dumped_populations)
np.save(output_path + "tarray", tarray)
np.save(output_path + "stress_array", strarray)
np.save(output_path + "hsl", hslarray)
np.save(output_path + "overlap", overlaparray)
np.save(output_path + "gucc_fiber", gucc_fiber)
np.save(output_path + "gucc_trans", gucc_trans)
np.save(output_path + "gucc_shear", gucc_shear)
np.save(output_path + "deltahsl", deltahslarray)
np.save(output_path + "pstress_array",pstrarray)
#np.save(output_path + "alpha_array",alphaarray)
np.save(output_path + "calcium",calarray)"""
#++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
cb_f_array[:] = project(cb_force, Quad).vector().get_local()[:]
hsl_array = project(hsl, Quad).vector().get_local()[:] # for Myosim
delta_hsl_array = hsl_array - hsl_array_old
temp_DG = project(
Pff,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
for ii in range(np.shape(hsl_array)[0]):
if p_f_array[ii] < 0.0:
p_f_array[ii] = 0.0
temp_DG_1 = project(
alpha,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
alphas = interpolate(temp_DG_1, Quad)
alpha_array = alphas.vector().get_local()[:]
temp_DG_2 = project(
Pg_fiber,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
pgf = interpolate(temp_DG_2, Quad)
pgf_array = pgf.vector().get_local()[:]
temp_DG_3 = project(
Pg_transverse,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
pgt = interpolate(temp_DG_3, Quad)
pgt_array = pgt.vector().get_local()[:]
temp_DG_4 = project(
Pg_shear,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
pgs = interpolate(temp_DG_4, Quad)
pgs_array = pgs.vector().get_local()[:]
displacementfile << w.sub(0)
pk1temp = project(inner(f0, Pactive * f0),
FunctionSpace(mesh, 'DG', 1))
pk1temp.rename("pk1temp", "pk1temp")
pk1file << pk1temp
hsl_temp = project(hsl, FunctionSpace(mesh, 'DG', 1))
hsl_temp.rename("hsl_temp", "hsl")
hsl_file << hsl_temp
alpha_temp = project(alphas, FunctionSpace(mesh, 'DG', 0))
alpha_temp.rename("alpha_temp", "alpha_temp")
alpha_file << alpha_temp
print "shape of time array" + str(np.shape(tarray))
tarray[counter] = tstep
counter += 1
if save_output:
active_stress_ds.iloc[0, :] = cb_f_array[:]
active_stress_ds.to_csv(output_path + 'active_stress.csv',
mode='a',
header=False)
#active_stress_ds = active_stress_ds.transpose()
hsl_array_ds.iloc[0, :] = hsl_array[:]
hsl_array_ds.to_csv(output_path + 'half_sarcomere_lengths.csv',
mode='a',
header=False)
calcium_ds.iloc[0, :] = calcium[counter]
calcium_ds.to_csv(output_path + 'calcium.csv',
mode='a',
header=False)
for i in range(no_of_int_points):
dumped_populations_ds.iloc[i, :] = dumped_populations[i, :]
dumped_populations_ds.to_csv(output_path + 'populations.csv',
mode='a',
header=False)
tarray_ds[counter] = tarray[counter]
tarray_ds.to_csv(output_path + 'time.csv', mode='a', header=False)
p_f_array_ds.iloc[0, :] = p_f_array[:]
p_f_array_ds.to_csv(output_path + 'myofiber_passive.csv',
mode='a',
header=False)
pgf_array_ds.iloc[0, :] = pgf_array[:]
pgf_array_ds.to_csv(output_path + 'gucc_fiber_pstress.csv',
mode='a',
header=False)
pgt_array_ds.iloc[0, :] = pgt_array[:]
pgt_array_ds.to_csv(output_path + 'gucc_trans_pstress.csv',
mode='a',
header=False)
pgs_array_ds.iloc[0, :] = pgs_array[:]
pgs_array_ds.to_csv(output_path + 'gucc_shear_pstress.csv',
mode='a',
header=False)
temp_overlap_ds.iloc[0, :] = temp_overlap[:]
temp_overlap_ds.to_csv(output_path + 'overlap.csv',
mode='a',
header=False)
alpha_array_ds.iloc[0, :] = alpha_array[:]
alpha_array_ds.to_csv(output_path + 'alpha.csv',
mode='a',
header=False)
delta_hsl_array_ds.iloc[0, :] = delta_hsl_array[:]
delta_hsl_array_ds.to_csv(output_path + 'delta_hsl.csv',
mode='a',
header=False)
#overlaparray[counter,:] = temp_overlap
if (MPI.rank(comm) == 0):
fdataPV.close()
#fdataCa.close()
#fluxes, rates = implement.return_rates_fenics(hs)
# Generate dictionary for output
"""outputs = {
"rates": rates,
"dumped_populations": dumped_populations,
"tarray": tarray,
"strarray": strarray,
"pstrarray": pstrarray,
"gucc_fiber": gucc_fiber,
"gucc_trans": gucc_trans,
"gucc_shear": gucc_shear,
"alphaarray": alphaarray,
"calarray": calarray,
"hsl": hslarray,
"overlap": overlaparray
}"""
success = 1
return (success)
def fenics(sim_params,file_inputs,output_params,passive_params,hs_params,cell_ion_params,monodomain_params,windkessel_params,pso):
i,j = indices(2)
m,k = indices(2)
output_path = output_params["output_path"][0]
displacementfile = File(output_path + "u_disp.pvd")
filament_compliance_factor = hs_params["myofilament_parameters"]["filament_compliance_factor"][0]
# filament_compliance_factor = 0.5
no_of_states = hs_params["myofilament_parameters"]["num_states"][0]
#no_of_states = 3
#no_of_attached_states = 1
#no_of_detached_states = 2
no_of_attached_states = hs_params["myofilament_parameters"]["num_attached_states"][0]
no_of_detached_states = no_of_states-no_of_attached_states
no_of_transitions = hs_params["myofilament_parameters"]["num_transitions"][0]
state_attached = hs_params["myofilament_parameters"]["state_attached"][0]
cb_extensions = hs_params["myofilament_parameters"]["cb_extensions"][0]
k_cb_multiplier = hs_params["myofilament_parameters"]["k_cb_multiplier"][0]
k_cb_pos = hs_params["myofilament_parameters"]["k_cb_pos"][0]
k_cb_neg = hs_params["myofilament_parameters"]["k_cb_neg"][0]
cb_number_density = hs_params["cb_number_density"][0]
alpha_value = hs_params["myofilament_parameters"]["alpha"][0]
x_bin_min = hs_params["myofilament_parameters"]["bin_min"][0]
x_bin_max = hs_params["myofilament_parameters"]["bin_max"][0]
x_bin_increment = hs_params["myofilament_parameters"]["bin_width"][0]
#no_of_transitions = 4
#state_attached = [0, 0, 1]
#cb_extensions = [ 0, 0, 4.75642]
#k_cb_multiplier = [ 1.0, 1.0, 1.0]
#k_cb_pos = 0.001
#k_cb_neg = 0.001
#cb_number_density = 7.67e16
#alpha_value = 1.0
#x_bin_min = -12
#x_bin_max = +12
#x_bin_increment = 0.5
xx = np.arange(x_bin_min, x_bin_max + x_bin_increment, x_bin_increment)
no_of_x_bins = np.shape(xx)[0]
n_array_length = no_of_attached_states * no_of_x_bins + no_of_detached_states + 2
n_vector_indices = [[0,0], [1,1], [2,2+no_of_x_bins-1]]
#hsl0 = 1000
hsl0 = hs_params["initial_hs_length"][0]
#time_steps = 401
#time_steps = 2
#step_size = 0.5
step_size = sim_params["sim_timestep"][0]
sim_duration = sim_params["sim_duration"][0]
time_steps = int(sim_duration/step_size +1)
Ca_flag = 4
constant_pCa = 6.5
fdataCa = open(output_path + "calcium_.txt", "w", 0)
fx_rxn = np.zeros((time_steps))
#prev_ca = np.load("calcium_10.npy")
#prev_ca = prev_ca[:,0]
#xml_struct = ut.parse('pm_test10.xml')
#hs_params = xml_struct.single_circulation_simulation.half_sarcomere
hs = half_sarcomere.half_sarcomere(hs_params,1)
cell_ion = cell_ion_driver.cell_ion_driver(cell_ion_params)
calcium = np.zeros(time_steps)
calcium[0] = cell_ion.calculate_concentrations(0,0)
parameters["form_compiler"]["quadrature_degree"]=2
parameters["form_compiler"]["representation"] = "quadrature"
#
#os.system("rm *.pvd")
#os.system("rm *.vtu")
# defining parts of the model where the boundary condition should be applied later
# where x[0] = 0
class Left(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[0]) < tol
# where x[0] = 10
class Right(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[0]-1.0) < tol
# where x[2] = 0
class Lower(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[2]) < tol
# where x[1] = 0
class Front(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[1]) < tol
# where x[0], x[1] and x[2] = 0
class Fix(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[0]) < tol and abs(x[1]) < tol and abs(x[2]) < tol
#
#
mesh = UnitCubeMesh(1,1,1)
#mesh.cells()
no_of_int_points = 4 * np.shape(mesh.cells())[0]
temp_overlap = np.zeros((no_of_int_points))
y_vec_array_new = np.zeros(((no_of_int_points)*n_array_length))
hs_params_list = [{}]*no_of_int_points
for jj in np.arange(np.shape(hs_params_list)[0]):
hs_params_list[jj] = copy.deepcopy(hs_params)
#plot(mesh)
#plt.show()
#f0 = Constant((1.0, 0.0, 0.0))
s0 = Constant((0.0, 1.0, 0.0))
n0 = Constant((0.0, 0.0, 1.0))
facetboundaries = MeshFunction('size_t', mesh, mesh.topology().dim()-1)
facetboundaries.set_all(0)
left = Left()
right = Right()
fix = Fix()
lower = Lower()
front = Front()
#
left.mark(facetboundaries, 1)
right.mark(facetboundaries, 2)
fix.mark(facetboundaries, 3)
lower.mark(facetboundaries, 4)
front.mark(facetboundaries, 5)
File(output_path + "facetboundaries.pvd") << facetboundaries
#
ds = dolfin.ds(subdomain_data = facetboundaries)
#
###############################################################################
#
#
isincomp = True#False
N = FacetNormal (mesh)
#Cparam = Constant(1.0e2) #??
TF = TensorFunctionSpace(mesh, 'DG', 1)
Velem = VectorElement("Lagrange", tetrahedron, 2, quad_scheme="default")
Velem._quad_scheme = 'default'
Qelem = FiniteElement("Lagrange", tetrahedron, 1, quad_scheme="default")
Qelem._quad_scheme = 'default'
Quadelem = FiniteElement("Quadrature", tetrahedron, degree=2, quad_scheme="default")
Quadelem._quad_scheme = 'default'
# Vector element at gauss points (for fibers)
VQuadelem = VectorElement("Quadrature", mesh.ufl_cell(), degree=2, quad_scheme="default")
VQuadelem._quad_scheme = 'default'
W = FunctionSpace(mesh, MixedElement([Velem,Qelem]))
x_dofs = W.sub(0).sub(0).dofmap().dofs()
Quad = FunctionSpace(mesh, Quadelem)
c_param = Function(Quad)
c2_param = Function(Quad)
c3_param = Function(Quad)
c_param.vector()[:] = passive_params["c"][0]
c2_param.vector()[:] = passive_params["c2"][0]
c3_param.vector()[:] = passive_params["c3"][0]
# Putting them back in the "passive_params" dictionary so that when
# the dictionary is updated below, it reflects these changes
passive_params["c"] = c_param
passive_params["c2"] = c2_param
passive_params["c3"] = c3_param
Quad_vectorized_Fspace = FunctionSpace(mesh, MixedElement(n_array_length*[Quadelem]))
# Assigning initial fiber angles
fiberFS = FunctionSpace(mesh, VQuadelem)
f0 = Function(fiberFS)
#s0 = Function(fiberFS)
#n0 = Function(fiberFS)
for i in np.arange(no_of_int_points):
f0.vector()[i*3] = 1./sqrt(2.)
#f0.vector()[i*3] = 1.
#f0.vector()[i*3+1] = 0.
f0.vector()[i*3+1] = 1./sqrt(2.)
f0.vector()[i*3+2] = 0.
File(output_path + "fiber_init.pvd") << project(f0, VectorFunctionSpace(mesh, "DG", 0))
#print f0.type()
#f0 = f0/sqrt(inner(f0,f0))
temp_f = Function(fiberFS)
f = Function(fiberFS)
f_diff = Function(fiberFS)
scaled_fdiff = Function(fiberFS)
# assigning BCs
u_D = Expression(("u_D"), u_D = 0.0, degree = 2)
bcleft= DirichletBC(W.sub(0).sub(0), Constant((0.0)), facetboundaries, 1) # u1 = 0 on left face
bcright= DirichletBC(W.sub(0).sub(0), u_D, facetboundaries, 2)
bcfix = DirichletBC(W.sub(0), Constant((0.0, 0.0, 0.0)), fix, method="pointwise") # at one vertex u = v = w = 0
bclower= DirichletBC(W.sub(0).sub(2), Constant((0.0)), facetboundaries, 4) # u3 = 0 on lower face
bcfront= DirichletBC(W.sub(0).sub(1), Constant((0.0)), facetboundaries, 5) # u2 = 0 on front face
bcs = [bcleft, bclower, bcfront, bcright,bcfix]
du,dp = TrialFunctions(W)
w = Function(W)
dw = TrialFunction(W)
(u,p) = split(w)
(v,q) = TestFunctions(W)
wtest = TestFunction(W)
params= {"mesh": mesh,
"facetboundaries": facetboundaries,
"facet_normal": N,
"mixedfunctionspace": W,
"mixedfunction": w,
"displacement_variable": u,
"pressure_variable": p,
"fiber": f0,
"sheet": s0,
"sheet-normal": n0,
#"C_param": Cparam,
"incompressible": isincomp,
"Kappa":Constant(1e5)}
params.update(passive_params)
uflforms = Forms(params)
Fmat = uflforms.Fmat()
Cmat = (Fmat.T*Fmat)
Emat = uflforms.Emat()
Umat = uflforms.Umat()
kappa = 1.0
J = uflforms.J()
n = J*inv(Fmat.T)*N
dx = dolfin.dx(mesh,metadata = {"integration_order":2})
#Ematrix = project(Emat, TF)
Wp = uflforms.PassiveMatSEF()
#Active force calculation------------------------------------------------------
y_vec = Function(Quad_vectorized_Fspace)
hsl = sqrt(dot(f0, Cmat*f0))*hsl0
hsl_old = Function(Quad)
#hsl_old = hsl
delta_hsl = hsl - hsl_old
#delta_hsl = 0.0
#f_holder = Constant(0.0)
cb_force = Constant(0.0)
y_vec_split = split(y_vec)
for jj in range(no_of_states):
f_holder = Constant(0.0)
temp_holder = Constant(0.0)
if state_attached[jj] == 1:
cb_ext = cb_extensions[jj]
for kk in range(no_of_x_bins):
dxx = xx[kk] + delta_hsl * filament_compliance_factor
n_pop = y_vec_split[n_vector_indices[jj][0] + kk]
temp_holder = n_pop * k_cb_multiplier[jj] * (dxx + cb_ext) * conditional(gt(dxx + cb_ext,0.0), k_cb_pos, k_cb_neg)
#temp_holder = temp_holder*conditional(gt(abs(dxx),x_bin_max),0.0,1.0)
#f_holder = f_holder + conditional(gt(temp_holder,0.0),temp_holder,0.0)
f_holder = f_holder + temp_holder
f_holder = f_holder * cb_number_density * 1e-9
f_holder = f_holder * alpha_value
cb_force = cb_force + f_holder
Pactive = cb_force * as_tensor(f0[m]*f0[k], (m,k))
Press = Expression(("P"), P=0.0, degree=0)
# Automatic differentiation #####################################################################################################
F1 = derivative(Wp, w, wtest)*dx
F2 = inner(Fmat*Pactive, grad(v))*dx
F3 = inner(Press*N, v)*ds(2, domain=mesh)
Ftotal = F1 + F2 - F3
Jac1 = derivative(F1, w, dw)
Jac2 = derivative(F2, w, dw)
Jac3 = derivative(F3, w, dw)
Jac = Jac1 + Jac2 - Jac3
##################################################################################################################################
# Contraction phase
'''header_file = open("./C++/hs.h","r")
code = header_file.read()
header_file.close()
ext_module = compile_extension_module(code=code, source_directory="C++", sources=["hs.cpp", "mf.cpp", "Ca.cpp", "base_parameters.cpp"],
additional_system_headers=["petscvec.h"],
include_dirs=[".", os.path.abspath("C++"),"/usr/include", "./C++"],
library_dirs = ['/usr/lib/x86_64-linux-gnu'],
libraries = ['libgsl.a'])
Myosim = ext_module.hs()
_FE_params = {"step_size": step_size};
Myosim.FE_params.update(_FE_params)
_Ca_params = {"Ca_flag": Ca_flag};
Myosim.Ca_params.update(_Ca_params)
_Ca_params = {"constant_pCa": constant_pCa};
Myosim.Ca_params.update(_Ca_params)'''
darray = []
tarray = []
hslarray = np.zeros((time_steps+1,no_of_int_points))
calarray = []
strarray = np.zeros((time_steps+1,no_of_int_points))
pstrarray = np.zeros((time_steps+1,no_of_int_points))
overlaparray = np.zeros((time_steps+1,no_of_int_points))
y_vec_array = y_vec.vector().get_local()[:]
hsl_array = project(hsl, Quad).vector().get_local()[:]
#hsl_array = np.ones(no_of_int_points)*hsl0
delta_hsl_array = np.zeros(no_of_int_points)
for counter in range(0,n_array_length * no_of_int_points,n_array_length):
#y_vec_array[counter] = 1
# Starting all in on state for Debugging
y_vec_array[counter] = 1
y_vec_array[counter-2] = 1
Pg, Pff, alpha = uflforms.stress()
temp_DG = project(Pff, FunctionSpace(mesh, "DG", 1), form_compiler_parameters={"representation":"uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
temp_DG_1 = project(alpha, FunctionSpace(mesh, "DG", 1), form_compiler_parameters={"representation":"uflacs"})
alphas = interpolate(temp_DG_1, Quad)
alpha_array = alphas.vector().get_local()[:]
'''P,S,T = uflforms.stress()
Pff = inner(f0,P*f0)
p_f = project(Pff, Quad)
p_f_array = p_f.vector().get_local()[:]'''
#p_f = np.load("/home/fenics/shared/python_dev/test_10/passive_forces.npy")
cb_f_array = project(cb_force, Quad).vector().get_local()[:]
dumped_populations = np.zeros((time_steps, no_of_int_points, n_array_length))
y_interp = np.zeros(no_of_int_points*n_array_length)
t = 0.0
#delta_hsls = np.zeros((time_steps,24))
for l in range(time_steps):
tarray.append(t)
for m in range(no_of_int_points):
for k in range(n_array_length):
dumped_populations[l, m, k] = y_interp[m * n_array_length + k]
#hslarray.append(hsl_array[0])
#strarray.append(cb_f_array[0])
#pstrarray.append(p_f_array[0])
# _Ca_params = {"time_point": l};
# Myosim.Ca_params.update(_Ca_params)
#print p_f[l]
#for k in range(no_of_int_points):
# pop_holder = implement.update_simulation(hs, step_size, delta_hsl_array[k], hsl_array[k], y_vec_array[k*n_array_length:(k+1)*n_array_length],p_f_array[k], cb_f_array[k], prev_ca[l])
# y_vec_array_new = Myosim.apply_time_step(y_vec_array, delta_hsl_array, hsl_array, p_f_array, cb_f_array)
#y_vec_array_new[k*n_array_length:(k+1)*n_array_length] = pop_holder
# Right now, not general. The calcium depends on cycle number, just saying 0
cycle = 0
calcium[l] = cell_ion.calculate_concentrations(step_size,l)
#calcium[l] = cell_ion.model.calculate_concentrations(0,t)
# Looping through integration points within Python Myosim, not here
# Debugging, checking if y_input matches y_output between steps
#print y_vec_array[0:53]
# Quick hack
if l == 0:
overlap_counter = 1
else:
overlap_counter = l
#temp_overlap, y_interp, y_vec_array_new = implement.update_simulation(hs, step_size, delta_hsl_array, hsl_array, y_vec_array, p_f_array, cb_f_array, calcium[l], n_array_length, t,hs_params_list)
for mm in np.arange(no_of_int_points):
#print hsl_array[mm]
temp_overlap[mm], y_interp[mm*n_array_length:(mm+1)*n_array_length], y_vec_array_new[mm*n_array_length:(mm+1)*n_array_length] = implement.update_simulation(hs, step_size, delta_hsl_array[mm], hsl_array[mm], y_vec_array[mm*n_array_length:(mm+1)*n_array_length], p_f_array[mm], cb_f_array[mm], calcium[l], n_array_length, t,hs_params_list[mm])
# print y_vec_array_new[0:53]
y_vec_array = y_vec_array_new # for Myosim
y_vec.vector()[:] = y_vec_array # for PDE
# print y_vec_array[0:53]
hsl_array_old = hsl_array
solve(Ftotal == 0, w, bcs, J = Jac, form_compiler_parameters={"representation":"uflacs"},solver_parameters={"newton_solver":{"relative_tolerance":1e-8},"newton_solver":{"maximum_iterations":50},"newton_solver":{"absolute_tolerance":1e-8}})
np.save(output_path +"dumped_populations", dumped_populations)
np.save(output_path + "tarray", tarray)
np.save(output_path + "stress_array", strarray)
np.save(output_path + "hsl", hslarray)
np.save(output_path + "overlap", overlaparray)
np.save(output_path + "pstress_array",pstrarray)
#np.save(output_path + "alpha_array",alphaarray)
np.save(output_path + "calcium",calarray)
displacementfile << w.sub(0)
hsl_old.vector()[:] = project(hsl, Quad).vector().get_local()[:] # for PDE
hsl_array = project(hsl, Quad).vector().get_local()[:] # for Myosim
delta_hsl_array = project(sqrt(dot(f0, Cmat*f0))*hsl0, Quad).vector().get_local()[:] - hsl_array_old # for Myosim
#delta_hsls[l] = delta_hsl_array
temp_DG = project(Pff, FunctionSpace(mesh, "DG", 1), form_compiler_parameters={"representation":"uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
cb_f_array = project(cb_force, Quad).vector().get_local()[:]
#strarray.append(cb_f_array[0])
strarray[l,:] = cb_f_array[:]
pstrarray[l,:] = p_f_array[:]
#hslarray.append(hsl_array[0]+delta_hsl_array[0])
hslarray[l,:] = hsl_array[:] + delta_hsl_array[:]
overlaparray[l,:] = temp_overlap
# Calculate reaction force at right end
b = assemble(Ftotal,form_compiler_parameters={"representation":"uflacs"})
bcleft.apply(b)
f_int_total = b.copy()
for kk in x_dofs:
fx_rxn[l] += f_int_total[kk]
np.save(output_path + "fx",fx_rxn)
#print(cb_f_array)
"""if t <= 100: # stretch to 1300
u_D.u_D += .003
if t < 500 and t > 100:
u_D.u_D =u_D.u_D
if t < 600 and t >= 500:
u_D.u_D += .0005
if t < 800 and t >=600:
u_D.u_D = u_D.u_D
if t < 900 and t >= 800:
u_D.u_D -= .0005
if t >= 900:
u_D.u_D = u_D.u_D"""
"""if t < 170 and t > 150:
u_D.u_D -= 0.005
else:
u_D.u_D = u_D.u_D"""
"""if t < 20:
u_D.u_D += 0.001
else:
u_D.u_D = u_D.u_D"""
if t <= 5.0:
u_D.u_D = u_D.u_D
if t > 5.0 and t <= 10.0:
u_D.u_D += 0.03
if t > 10.0:
u_D.u_D = u_D.u_D
t = t + step_size
calarray.append(hs.Ca_conc*np.ones(no_of_int_points))
"""for m in range(no_of_int_points):
for k in range(n_array_length):
dumped_populations[l, m, k] = y_vec_array[m * n_array_length + k]"""
#f0 += uflforms.kroon_law(fiberFS)[0] * step_size
#temp_f = project(Umat*f0,VectorFunctionSpace(mesh,"DG",1),form_compiler_parameters={"representation":"uflacs"})
#temp_f_2 = interpolate(temp_f, fiberFS)
temp_f = Umat*f0
f_mag = sqrt(inner(temp_f,temp_f))
f = temp_f/f_mag
f_diff = f-f0
scaled_fdiff = f_diff * (step_size/kappa)
scaled_f_assign = project(scaled_fdiff,VectorFunctionSpace(mesh,"DG",1),form_compiler_parameters={"representation":"uflacs"})
scaled_f_2 = interpolate(scaled_f_assign, fiberFS)
#print temp_f.type()
f0.vector()[:] += scaled_f_2.vector()[:]
File(output_path + "fiber_" + str(l) + ".pvd") << project(f0, VectorFunctionSpace(mesh, "DG", 0))
# f0.vector()[abc] += scaled_fdiff.vector()[abc]
#f0 += scaled_fdiff"""
#f0 += scaled_fdiff
#f0 = f0 + new_f_diff*step_size
#f = Umat*f0/sqrt(inner(Umat*f0,Umat*f0))
#df0 = (1.0/kappa) * (f - f0)
#f0 += df0*step_size
# File(output_path + "fiber_" + str(t) +".pvd") << project(f0, VectorFunctionSpace(mesh,"CG",1))
rate_constants = np.zeros((no_of_x_bins,no_of_transitions + 1))
#for l in range(no_of_x_bins):
# for m in range(no_of_transitions + 1):
# rate_constants[l,m] = Myosim.dump_rate_constants(l, m, 0)
fluxes, rates = implement.return_rates_fenics(hs)
#np.save("/home/fenics/shared/python_dev/test_10_pm/rates",rates)
#np.save("/home/fenics/shared/python_dev/test_10_pm/dumped_populations",dumped_populations)
#np.save("/home/fenics/shared/python_dev/test_10_pm/tarray",tarray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/stress_array",strarray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/pstress_array",p_f)
#np.save("/home/fenics/shared/python_dev/test_10_pm/calcium",calarray)
#np.save("/home/fenics/shared/test_10/displacements",darray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/HSL",hslarray)
#np.save("/home/fenics/shared/test_10/DHSL",delta_hsls)
outputs = {
"rates": rates,
"dumped_populations": dumped_populations,
"tarray": tarray,
"strarray": strarray,
"pstrarray": pstrarray,
"alphaarray": darray,
"calarray": calarray,
"hsl": hslarray,
"overlap": overlaparray
}
np.save(output_path +"dumped_populations", dumped_populations)
np.save(output_path + "tarray", tarray)
np.save(output_path + "stress_array", strarray)
np.save(output_path + "hsl", hslarray)
np.save(output_path + "overlap", overlaparray)
np.save(output_path + "pstress_array",pstrarray)
#np.save(output_path + "alpha_array",alphaarray)
np.save(output_path + "calcium",calarray)
fdataCa.close()
return(outputs)
def fenics(sim_params, file_inputs, output_params, passive_params, hs_params,
cell_ion_params, monodomain_params, windkessel_params):
global i
global j
output_path = output_params["output_path"][0]
displacementfile = File(output_path + "u_disp.pvd")
filament_compliance_factor = hs_params["myofilament_parameters"][
"filament_compliance_factor"][0]
# filament_compliance_factor = 0.5
no_of_states = hs_params["myofilament_parameters"]["num_states"][0]
#no_of_states = 3
#no_of_attached_states = 1
#no_of_detached_states = 2
no_of_attached_states = hs_params["myofilament_parameters"][
"num_attached_states"][0]
no_of_detached_states = no_of_states - no_of_attached_states
no_of_transitions = hs_params["myofilament_parameters"]["num_transitions"][
0]
state_attached = hs_params["myofilament_parameters"]["state_attached"][0]
cb_extensions = hs_params["myofilament_parameters"]["cb_extensions"][0]
k_cb_multiplier = hs_params["myofilament_parameters"]["k_cb_multiplier"][0]
k_cb_pos = hs_params["myofilament_parameters"]["k_cb_pos"][0]
k_cb_neg = hs_params["myofilament_parameters"]["k_cb_neg"][0]
cb_number_density = hs_params["cb_number_density"][0]
alpha_value = hs_params["myofilament_parameters"]["alpha"][0]
x_bin_min = hs_params["myofilament_parameters"]["bin_min"][0]
x_bin_max = hs_params["myofilament_parameters"]["bin_max"][0]
x_bin_increment = hs_params["myofilament_parameters"]["bin_width"][0]
#no_of_transitions = 4
#state_attached = [0, 0, 1]
#cb_extensions = [ 0, 0, 4.75642]
#k_cb_multiplier = [ 1.0, 1.0, 1.0]
#k_cb_pos = 0.001
#k_cb_neg = 0.001
#cb_number_density = 7.67e16
#alpha_value = 1.0
#x_bin_min = -12
#x_bin_max = +12
#x_bin_increment = 0.5
xx = np.arange(x_bin_min, x_bin_max + x_bin_increment, x_bin_increment)
no_of_x_bins = np.shape(xx)[0]
n_array_length = no_of_attached_states * no_of_x_bins + no_of_detached_states + 2
n_vector_indices = [[0, 0], [1, 1], [2, 2 + no_of_x_bins - 1]]
#hsl0 = 1000
hsl0 = hs_params["initial_hs_length"][0]
#time_steps = 401
#time_steps = 2
#step_size = 0.5
step_size = sim_params["sim_timestep"][0]
sim_duration = sim_params["sim_duration"][0]
time_steps = int(sim_duration / step_size + 1)
Ca_flag = 4
constant_pCa = 6.5
fdataCa = open(output_path + "calcium_.txt", "w", 0)
#prev_ca = np.load("calcium_10.npy")
#prev_ca = prev_ca[:,0]
#xml_struct = ut.parse('pm_test10.xml')
#hs_params = xml_struct.single_circulation_simulation.half_sarcomere
hs = half_sarcomere.half_sarcomere(hs_params, 1)
cell_ion = cell_ion_driver.cell_ion_driver(cell_ion_params)
calcium = np.zeros(time_steps)
calcium[0] = cell_ion.model_class.calculate_concentrations(0, 0)
parameters["form_compiler"]["quadrature_degree"] = 2
parameters["form_compiler"]["representation"] = "quadrature"
#
#os.system("rm *.pvd")
#os.system("rm *.vtu")
# defining parts of the model where the boundary condition should be applied later
# where x[0] = 0
class Left(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[0]) < tol
# where x[0] = 10
class Right(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[0] - 10.) < tol
# where x[2] = 0
class FixY(SubDomain):
def inside(self, x, on_boundary):
tol = 1e-1
return near(x[0], 0., tol) and near(x[1], 0., tol)
class FixZ(SubDomain):
def inside(self, x, on_boundary):
tol = 1e-1
return near(x[0], 0., tol) and near(x[2], 0., tol)
class FixY_right(SubDomain):
def inside(self, x, on_boundary):
tol = 1e-1
return near(x[0], 10., tol) and near(x[1], 0., tol)
class FixZ_right(SubDomain):
def inside(self, x, on_boundary):
tol = 1e-1
return near(x[0], 10., tol) and near(x[2], 0., tol)
#
#
x = 10.0
y = 0.0
z = 0.0
cyl_top = Point(x, y, z)
cyl_bottom = Point(0, 0, 0)
top_radius = 1.0
bottom_radius = 1.0
segments = 20
geometry = mshr.Cylinder(cyl_top, cyl_bottom, top_radius, bottom_radius,
segments)
mesh = mshr.generate_mesh(geometry, 30)
no_of_int_points = 4 * np.shape(mesh.cells())[0]
#plot(mesh)
#plt.show()
VQuadelem = VectorElement("Quadrature",
mesh.ufl_cell(),
degree=2,
quad_scheme="default")
fiberFS = FunctionSpace(mesh, VQuadelem)
f0 = Function(fiberFS)
s0 = Function(fiberFS)
n0 = Function(fiberFS)
counter = 0
"""for m in np.arange(np.shape(f0.vector().array())[0]/3):
m = int(m)
#f0.vector()[m*3] = np.random.normal(1.,.3)
f0.vector()[m*3] = np.random.normal(1.,0.0)
#s0.vector()[m*3] = f0.vector().array()[m*3] - 1. #sheet vector in plane with fiber vector
s0.vector()[m*3] = 0.0
#f0.vector()[m*3+1] = np.random.normal(0.,.3)
f0.vector()[m*3+1] = np.random.normal(0.,0.0)
f0.vector()[m*3+2] = 0.0
#s0.vector()[m*3+1] = f0.vector().array()[m*3+1]
s0.vector()[m*3+1] = 1.0
s0.vector()[m*3+2] = 0.0
n0.vector()[m*3] = 0.0
n0.vector()[m*3+1] = 0.0
n0.vector()[m*3+2] = 1.0
# z component would look like
# f0.vector()[m*3+2] = something
# s0.vector()[m*3+2] = f0.vector().array()[int(m)*3+2]
#n0_holder = np.cross(f0.vector().array()[m*3:m*3+3],s0.vector().array()[m*3:m*3+3])
#n0_holder /= sqrt(np.inner(n0_holder,n0_holder))
#for n in range(3):
# n0.vector()[m*3+n] = n0_holder[n]
#s0_holder = np.cross(f0.vector().array()[m*3:m*3+3],n0.vector().array()[m*3:m*3+3])
#s0_holder /= sqrt(np.inner(s0_holder,s0_holder))
#for n in range(3):
# s0.vector()[m*3+n] = s0_holder[n]
#f0_holder = f0.vector().array()[m*3:m*3+3]
#f0_holder /= sqrt(np.inner(f0_holder,f0_holder))
#for n in range(3):
# f0.vector()[m*3+n] = f0_holder[n]"""
f0 = Constant([1.0, 0.0, 0.0])
s0 = Constant([0.0, 1.0, 0.0])
n0 = Constant([0.0, 0.0, 1.0])
File(output_path + "sheet_normal.pvd") << project(
n0, VectorFunctionSpace(mesh, "DG", 0))
File(output_path + "fiber.pvd") << project(
f0, VectorFunctionSpace(mesh, "CG", 1))
File(output_path + "sheet.pvd") << project(
s0, VectorFunctionSpace(mesh, "DG", 0))
facetboundaries = MeshFunction(
'size_t', mesh,
mesh.topology().dim() -
1) # fcn that can be evaluated at the mesh entities of 'mesh'
facetboundaries.set_all(0) #sets all values in facetboundaries to 0
left = Left()
right = Right()
fixy = FixY()
fixyright = FixY_right()
fixzright = FixZ_right()
fixz = FixZ()
#
left.mark(facetboundaries, 1)
right.mark(facetboundaries, 2)
fixy.mark(facetboundaries, 3)
fixz.mark(facetboundaries, 4)
#
ds = dolfin.ds(subdomain_data=facetboundaries)
#
###############################################################################
#
#
isincomp = True #False
N = FacetNormal(mesh)
#Cparam = Constant(1.0e2) #??
TF = TensorFunctionSpace(mesh, 'DG', 1)
Velem = VectorElement("Lagrange", tetrahedron, 2, quad_scheme="default")
Velem._quad_scheme = 'default'
Qelem = FiniteElement("Lagrange", tetrahedron, 1, quad_scheme="default")
Qelem._quad_scheme = 'default'
Quadelem = FiniteElement("Quadrature",
tetrahedron,
degree=2,
quad_scheme="default")
Quadelem._quad_scheme = 'default'
W = FunctionSpace(mesh, MixedElement([Velem, Qelem]))
Quad = FunctionSpace(mesh, Quadelem)
Quad_vectorized_Fspace = FunctionSpace(
mesh, MixedElement(n_array_length * [Quadelem]))
# assigning BCs
u_D = Expression(("u_D"), u_D=0.0, degree=2)
# BCs specified for subdomain by index
bcleft = DirichletBC(W.sub(0), Constant((0, 0, 0)), facetboundaries,
1) # u1 = 0 on left face
bcright = DirichletBC(W.sub(0), Constant((0, 0, 0)), facetboundaries, 2)
bcfixy = DirichletBC(W.sub(0).sub(1),
Constant((0.)),
fixy,
method="pointwise")
bcfixz = DirichletBC(W.sub(0).sub(2),
Constant((0.)),
fixz,
method="pointwise")
bcfixyright = DirichletBC(W.sub(0).sub(1),
Constant((0.)),
fixyright,
method="pointwise")
bcfixzright = DirichletBC(W.sub(0).sub(2),
Constant((0.)),
fixzright,
method="pointwise")
bcs = [bcleft, bcright]
du, dp = TrialFunctions(W)
w = Function(W)
dw = TrialFunction(W)
(u, p) = split(w)
(v, q) = TestFunctions(W)
wtest = TestFunction(W)
params = {
"mesh": mesh,
"facetboundaries": facetboundaries,
"facet_normal": N,
"mixedfunctionspace": W,
"mixedfunction": w,
"displacement_variable": u,
"pressure_variable": p,
"fiber": f0,
"sheet": s0,
"sheet-normal": n0,
#"C_param": Cparam,
"incompressible": isincomp,
"Kappa": Constant(1e5)
}
params.update(passive_params)
uflforms = Forms(params)
Fmat = uflforms.Fmat()
Cmat = (Fmat.T * Fmat)
Emat = uflforms.Emat()
J = uflforms.J()
n = J * inv(Fmat.T) * N
dx = dolfin.dx(mesh, metadata={"integration_order": 2})
#Ematrix = project(Emat, TF)
Wp = uflforms.PassiveMatSEF()
#Active force calculation------------------------------------------------------
y_vec = Function(Quad_vectorized_Fspace)
hsl = sqrt(dot(f0, Cmat * f0)) * hsl0
hsl_old = Function(Quad)
#hsl_old = hsl
delta_hsl = hsl - hsl_old
#delta_hsl = 0.0
#f_holder = Constant(0.0)
cb_force = Constant(0.0)
y_vec_split = split(y_vec)
for jj in range(no_of_states):
f_holder = Constant(0.0)
temp_holder = Constant(0.0)
if state_attached[jj] == 1:
cb_ext = cb_extensions[jj]
for kk in range(no_of_x_bins):
dxx = xx[kk] + delta_hsl * filament_compliance_factor
n_pop = y_vec_split[n_vector_indices[jj][0] + kk]
temp_holder = n_pop * k_cb_multiplier[jj] * (
dxx + cb_ext) * conditional(gt(dxx + cb_ext, 0.0),
k_cb_pos, k_cb_neg)
#temp_holder = temp_holder*conditional(gt(abs(dxx),x_bin_max),0.0,1.0)
#f_holder = f_holder + conditional(gt(temp_holder,0.0),temp_holder,0.0)
f_holder = f_holder + temp_holder
f_holder = f_holder * cb_number_density * 1e-9
f_holder = f_holder * alpha_value
cb_force = cb_force + f_holder
Pactive = cb_force * as_tensor(f0[i] * f0[j], (i, j))
Press = Expression(("P"), P=0.0, degree=0)
# Automatic differentiation #####################################################################################################
F1 = derivative(Wp, w, wtest) * dx
F2 = inner(Fmat * Pactive, grad(v)) * dx
F3 = inner(Press * N, v) * ds(2, domain=mesh)
Ftotal = F1 + F2 - F3
Jac1 = derivative(F1, w, dw)
Jac2 = derivative(F2, w, dw)
Jac3 = derivative(F3, w, dw)
Jac = Jac1 + Jac2 - Jac3
##################################################################################################################################
# Contraction phase
'''header_file = open("./C++/hs.h","r")
code = header_file.read()
header_file.close()
ext_module = compile_extension_module(code=code, source_directory="C++", sources=["hs.cpp", "mf.cpp", "Ca.cpp", "base_parameters.cpp"],
additional_system_headers=["petscvec.h"],
include_dirs=[".", os.path.abspath("C++"),"/usr/include", "./C++"],
library_dirs = ['/usr/lib/x86_64-linux-gnu'],
libraries = ['libgsl.a'])
Myosim = ext_module.hs()
_FE_params = {"step_size": step_size};
Myosim.FE_params.update(_FE_params)
_Ca_params = {"Ca_flag": Ca_flag};
Myosim.Ca_params.update(_Ca_params)
_Ca_params = {"constant_pCa": constant_pCa};
Myosim.Ca_params.update(_Ca_params)'''
darray = []
tarray = []
hslarray = []
calarray = []
strarray = []
pstrarray = []
overlaparray = np.zeros((time_steps + 1, no_of_int_points))
y_vec_array = y_vec.vector().get_local()[:]
hsl_array = project(hsl, Quad).vector().get_local()[:]
#hsl_array = np.ones(no_of_int_points)*hsl0
delta_hsl_array = np.zeros(no_of_int_points)
for counter in range(0, n_array_length * no_of_int_points, n_array_length):
#y_vec_array[counter] = 1
# Starting all in on state for Debugging
y_vec_array[counter] = 1
y_vec_array[counter - 2] = 1
Pg, Pff, alpha = uflforms.stress()
temp_DG = project(Pff,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
temp_DG_1 = project(alpha,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
alphas = interpolate(temp_DG_1, Quad)
alpha_array = alphas.vector().get_local()[:]
'''P,S,T = uflforms.stress()
Pff = inner(f0,P*f0)
p_f = project(Pff, Quad)
p_f_array = p_f.vector().get_local()[:]'''
#p_f = np.load("/home/fenics/shared/python_dev/test_10/passive_forces.npy")
cb_f_array = project(cb_force, Quad).vector().get_local()[:]
dumped_populations = np.zeros(
(time_steps, no_of_int_points, n_array_length))
y_interp = np.zeros(no_of_int_points * n_array_length)
# Need to create a list of dictionaries for parameters for each gauss point
hs_params_list = [{}] * no_of_int_points
temp_overlap = np.zeros((no_of_int_points))
y_vec_array_new = np.zeros(((no_of_int_points) * n_array_length))
for jj in np.arange(np.shape(hs_params_list)[0]):
hs_params_list[jj] = copy.deepcopy(hs_params)
t = 0.0
#delta_hsls = np.zeros((time_steps,24))
for l in range(time_steps):
tarray.append(t)
for m in range(no_of_int_points):
for k in range(n_array_length):
dumped_populations[l, m, k] = y_interp[m * n_array_length + k]
#hslarray.append(hsl_array[0])
#strarray.append(cb_f_array[0])
#pstrarray.append(p_f_array[0])
# _Ca_params = {"time_point": l};
# Myosim.Ca_params.update(_Ca_params)
#print p_f[l]
#for k in range(no_of_int_points):
# pop_holder = implement.update_simulation(hs, step_size, delta_hsl_array[k], hsl_array[k], y_vec_array[k*n_array_length:(k+1)*n_array_length],p_f_array[k], cb_f_array[k], prev_ca[l])
# y_vec_array_new = Myosim.apply_time_step(y_vec_array, delta_hsl_array, hsl_array, p_f_array, cb_f_array)
#y_vec_array_new[k*n_array_length:(k+1)*n_array_length] = pop_holder
# Right now, not general. The calcium depends on cycle number, just saying 0
cycle = 0
calcium[l] = cell_ion.model_class.calculate_concentrations(cycle, t)
#calcium[l] = cell_ion.model.calculate_concentrations(0,t)
# Looping through integration points within Python Myosim, not here
# Debugging, checking if y_input matches y_output between steps
#print y_vec_array[0:53]
# Quick hack
if l == 0:
overlap_counter = 1
else:
overlap_counter = l
for mm in np.arange(no_of_int_points):
#print hsl_array[mm]
temp_overlap[mm], y_interp[mm * n_array_length:(
mm +
1) * n_array_length], y_vec_array_new[mm * n_array_length:(
mm + 1) * n_array_length] = implement.update_simulation(
hs, step_size, delta_hsl_array[mm], hsl_array[mm],
y_vec_array[mm * n_array_length:(mm + 1) *
n_array_length], p_f_array[mm],
cb_f_array[mm], calcium[l], n_array_length, t,
overlaparray[overlap_counter, mm], hs_params_list[mm])
#temp_overlap, y_interp, y_vec_array_new = implement.update_simulation(hs, step_size, delta_hsl_array, hsl_array, y_vec_array, p_f_array, cb_f_array, calcium[l], n_array_length, t,overlaparray[overlap_counter,:])
#print y_vec_array_new[0:53]
y_vec_array = y_vec_array_new # for Myosim
y_vec.vector()[:] = y_vec_array # for PDE
# print y_vec_array[0:53]
hsl_array_old = hsl_array
solve(Ftotal == 0,
w,
bcs,
J=Jac,
form_compiler_parameters={"representation": "uflacs"},
solver_parameters={
"newton_solver": {
"relative_tolerance": 1e-8
},
"newton_solver": {
"maximum_iterations": 50
},
"newton_solver": {
"absolute_tolerance": 1e-8
}
})
np.save(output_path + "dumped_populations", dumped_populations)
np.save(output_path + "tarray", tarray)
np.save(output_path + "stress_array", strarray)
np.save(output_path + "hsl", hslarray)
np.save(output_path + "overlap", overlaparray)
np.save(output_path + "pstress_array", pstrarray)
#np.save(output_path + "alpha_array",alphaarray)
np.save(output_path + "calcium", calarray)
displacementfile << w.sub(0)
hsl_old.vector()[:] = project(hsl,
Quad).vector().get_local()[:] # for PDE
hsl_array = project(hsl, Quad).vector().get_local()[:] # for Myosim
delta_hsl_array = project(
sqrt(dot(f0, Cmat * f0)) * hsl0,
Quad).vector().get_local()[:] - hsl_array_old # for Myosim
#delta_hsls[l] = delta_hsl_array
temp_DG = project(
Pff,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
cb_f_array = project(cb_force, Quad).vector().get_local()[:]
strarray.append(cb_f_array[0])
pstrarray.append(p_f_array[0])
hslarray.append(hsl_array[0] + delta_hsl_array[0])
overlaparray[l, :] = temp_overlap
#print(cb_f_array)
"""if t <= 100: # stretch to 1300
u_D.u_D += .003
if t < 500 and t > 100:
u_D.u_D =u_D.u_D
if t < 600 and t >= 500:
u_D.u_D += .0005
if t < 800 and t >=600:
u_D.u_D = u_D.u_D
if t < 900 and t >= 800:
u_D.u_D -= .0005
if t >= 900:
u_D.u_D = u_D.u_D"""
"""if t < 170 and t > 150:
u_D.u_D -= 0.005
else:
u_D.u_D = u_D.u_D"""
u_D.u_D = u_D.u_D
t = t + step_size
calarray.append(hs.Ca_conc * np.ones(no_of_int_points))
"""for m in range(no_of_int_points):
for k in range(n_array_length):
dumped_populations[l, m, k] = y_vec_array[m * n_array_length + k]"""
rate_constants = np.zeros((no_of_x_bins, no_of_transitions + 1))
#for l in range(no_of_x_bins):
# for m in range(no_of_transitions + 1):
# rate_constants[l,m] = Myosim.dump_rate_constants(l, m, 0)
fluxes, rates = implement.return_rates_fenics(hs)
#np.save("/home/fenics/shared/python_dev/test_10_pm/rates",rates)
#np.save("/home/fenics/shared/python_dev/test_10_pm/dumped_populations",dumped_populations)
#np.save("/home/fenics/shared/python_dev/test_10_pm/tarray",tarray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/stress_array",strarray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/pstress_array",p_f)
#np.save("/home/fenics/shared/python_dev/test_10_pm/calcium",calarray)
#np.save("/home/fenics/shared/test_10/displacements",darray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/HSL",hslarray)
#np.save("/home/fenics/shared/test_10/DHSL",delta_hsls)
outputs = {
"rates": rates,
"dumped_populations": dumped_populations,
"tarray": tarray,
"strarray": strarray,
"pstrarray": pstrarray,
"alphaarray": darray,
"calarray": calarray,
"hsl": hslarray,
"overlap": overlaparray
}
np.save(output_path + "dumped_populations", dumped_populations)
np.save(output_path + "tarray", tarray)
np.save(output_path + "stress_array", strarray)
np.save(output_path + "hsl", hslarray)
np.save(output_path + "overlap", overlaparray)
np.save(output_path + "pstress_array", pstrarray)
#np.save(output_path + "alpha_array",alphaarray)
np.save(output_path + "calcium", calarray)
fdataCa.close()
return (outputs)
def fenics(sim_params, file_inputs, output_params, passive_params, hs_params,
cell_ion_params, monodomain_params, windkessel_params):
i, j = indices(2)
output_path = output_params["output_path"][0]
displacementfile = File(output_path + "u_disp.pvd")
filament_compliance_factor = hs_params["myofilament_parameters"][
"filament_compliance_factor"][0]
# filament_compliance_factor = 0.5
no_of_states = hs_params["myofilament_parameters"]["num_states"][0]
#no_of_states = 3
#no_of_attached_states = 1
#no_of_detached_states = 2
no_of_attached_states = hs_params["myofilament_parameters"][
"num_attached_states"][0]
no_of_detached_states = no_of_states - no_of_attached_states
no_of_transitions = hs_params["myofilament_parameters"]["num_transitions"][
0]
state_attached = hs_params["myofilament_parameters"]["state_attached"][0]
cb_extensions = hs_params["myofilament_parameters"]["cb_extensions"][0]
k_cb_multiplier = hs_params["myofilament_parameters"]["k_cb_multiplier"][0]
k_cb_pos = hs_params["myofilament_parameters"]["k_cb_pos"][0]
k_cb_neg = hs_params["myofilament_parameters"]["k_cb_neg"][0]
cb_number_density = hs_params["cb_number_density"][0]
alpha_value = hs_params["myofilament_parameters"]["alpha"][0]
x_bin_min = hs_params["myofilament_parameters"]["bin_min"][0]
x_bin_max = hs_params["myofilament_parameters"]["bin_max"][0]
x_bin_increment = hs_params["myofilament_parameters"]["bin_width"][0]
#no_of_transitions = 4
#state_attached = [0, 0, 1]
#cb_extensions = [ 0, 0, 4.75642]
#k_cb_multiplier = [ 1.0, 1.0, 1.0]
#k_cb_pos = 0.001
#k_cb_neg = 0.001
#cb_number_density = 7.67e16
#alpha_value = 1.0
#x_bin_min = -12
#x_bin_max = +12
#x_bin_increment = 0.5
xx = np.arange(x_bin_min, x_bin_max + x_bin_increment, x_bin_increment)
no_of_x_bins = np.shape(xx)[0]
n_array_length = no_of_attached_states * no_of_x_bins + no_of_detached_states + 2
n_vector_indices = [[0, 0], [1, 1], [2, 2 + no_of_x_bins - 1]]
#hsl0 = 1000
hsl0 = hs_params["initial_hs_length"][0]
#time_steps = 401
#time_steps = 2
#step_size = 0.5
step_size = sim_params["sim_timestep"][0]
sim_duration = sim_params["sim_duration"][0]
time_steps = int(sim_duration / step_size + 1)
Ca_flag = 4
constant_pCa = 6.5
fdataCa = open(output_path + "calcium_.txt", "w", 0)
#prev_ca = np.load("calcium_10.npy")
#prev_ca = prev_ca[:,0]
#xml_struct = ut.parse('pm_test10.xml')
#hs_params = xml_struct.single_circulation_simulation.half_sarcomere
hs = half_sarcomere.half_sarcomere(hs_params, 1)
cell_ion = cell_ion_driver.cell_ion_driver(cell_ion_params)
calcium = np.zeros(time_steps)
calcium[0] = cell_ion.model_class.calculate_concentrations(0, 0)
parameters["form_compiler"]["quadrature_degree"] = 2
parameters["form_compiler"]["representation"] = "quadrature"
#
#os.system("rm *.pvd")
#os.system("rm *.vtu")
# defining parts of the model where the boundary condition should be applied later
# where x[0] = 0
class Left(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[0]) < tol
# where x[0] = 10
class Right(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[0] - 1.0) < tol
# where x[2] = 0
class Lower(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[2]) < tol
# where x[1] = 0
class Front(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[1]) < tol
# where x[0], x[1] and x[2] = 0
class Fix(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[0]) < tol and abs(x[1]) < tol and abs(
x[2]) < tol
#
#
mesh = UnitCubeMesh(1, 1, 1)
#mesh.cells()
# Vector element at gauss points (for fibers)
VQuadelem = VectorElement("Quadrature",
mesh.ufl_cell(),
degree=2,
quad_scheme="default")
VQuadelem._quad_scheme = 'default'
no_of_int_points = 4 * np.shape(mesh.cells())[0]
#print no_of_int_points
#plot(mesh)
#plt.show()
# Function space for local coordinate system (fiber, sheet, sheet-normal)
#f0.vector().array()[:] = [1.0,0.0,0.0]
#f0 = Constant((1.0, 0.0, 0.0))
s0 = Constant((0.0, 1.0, 0.0))
n0 = Constant((0.0, 0.0, 1.0))
facetboundaries = MeshFunction('size_t', mesh, mesh.topology().dim() - 1)
facetboundaries.set_all(0)
left = Left()
right = Right()
fix = Fix()
lower = Lower()
front = Front()
#
left.mark(facetboundaries, 1)
right.mark(facetboundaries, 2)
fix.mark(facetboundaries, 3)
lower.mark(facetboundaries, 4)
front.mark(facetboundaries, 5)
#
ds = dolfin.ds(subdomain_data=facetboundaries)
#
###############################################################################
#
#
isincomp = True #False
N = FacetNormal(mesh)
#Cparam = Constant(1.0e2) #??
TF = TensorFunctionSpace(mesh, 'DG', 1)
Velem = VectorElement("Lagrange", tetrahedron, 2, quad_scheme="default")
Velem._quad_scheme = 'default'
Qelem = FiniteElement("Lagrange", tetrahedron, 1, quad_scheme="default")
Qelem._quad_scheme = 'default'
Quadelem = FiniteElement("Quadrature",
tetrahedron,
degree=2,
quad_scheme="default")
Quadelem._quad_scheme = 'default'
W = FunctionSpace(mesh, MixedElement([Velem, Qelem]))
Quad = FunctionSpace(mesh, Quadelem)
Quad_vectorized_Fspace = FunctionSpace(
mesh, MixedElement(n_array_length * [Quadelem]))
# Kurtis trying to initialize vectors
fiberFS = FunctionSpace(mesh, VQuadelem)
f0 = Function(fiberFS)
File(output_path + "fiber1.pvd") << project(
f0, VectorFunctionSpace(mesh, "CG", 1))
ugrid = vtk_py.convertXMLMeshToUGrid(mesh)
File(output_path + "fiber2.pvd") << project(
f0, VectorFunctionSpace(mesh, "CG", 1))
gdim = mesh.geometry().dim()
xdofmap = fiberFS.sub(0).dofmap().dofs()
ydofmap = fiberFS.sub(1).dofmap().dofs()
zdofmap = fiberFS.sub(2).dofmap().dofs()
xq = fiberFS.tabulate_dof_coordinates().reshape((-1, gdim))
xq0 = xq[xdofmap]
print "xq0 shape " + str(np.shape(xq0))
points = vtk.vtkPoints()
vertices = vtk.vtkCellArray()
#ugrid = vtk.vtkUnstructuredGrid()
nb_cells = ugrid.GetNumberOfCells()
print "num cells = " + str(nb_cells)
fvecs = vtk_py.createFloatArray("fvecs", 3, 24)
for i in np.arange(24):
fvecs.InsertTuple(i, [1.0, 0.0, 0.0])
cnt = 0
for pt in xq0:
points.InsertNextPoint([pt[0], pt[1], pt[2]])
vertex = vtk.vtkVertex()
vertex.GetPointIds().SetId(0, cnt)
vertices.InsertNextCell(vertex)
cnt += 1
ugrid.SetPoints(points)
ugrid.SetCells(0, vertices)
vtk_py.CreateVertexFromPoint(ugrid)
#fvecs[:] = f0.vector()[:]
#ugrid.GetCellData().AddArray(f0.vector())
ugrid.GetCellData().AddArray(fvecs)
vtk_py.writeXMLUGrid(ugrid, output_path + "fiber_ugrid.vtu")
cnt = 0
for pt in xq0:
print cnt
fvec = fvecs.GetTuple(cnt)
f0.vector()[xdofmap[cnt]] = fvec[0]
f0.vector()[ydofmap[cnt]] = fvec[1]
f0.vector()[zdofmap[cnt]] = fvec[2]
cnt += 1
mesh = vtk_py.convertUGridToXMLMesh(ugrid)
"""cnt =0
for pt in xq0:
print "assigning vector"
f0.vector()[xdofmap[cnt]] = 1.0*cnt; f0.vector()[ydofmap[cnt]] = 0.0; f0.vector()[zdofmap[cnt]] = 0.0;
cnt +=1"""
print f0[0]
print "shape of f0 " + str(np.shape(f0.vector().array()))
#print "free indices of f0 " + str(f0.free_indices())
#f0.vector()[:] = 1.0
File(output_path + "fiber.pvd") << project(
f0, VectorFunctionSpace(mesh, "CG", 1))
#test_tensor = as_tensor(f0*f0)
# assigning BCs
u_D = Expression(("u_D"), u_D=0.0, degree=2)
bcleft = DirichletBC(W.sub(0).sub(0), Constant((0.0)), facetboundaries,
1) # u1 = 0 on left face
bcright = DirichletBC(W.sub(0).sub(0), u_D, facetboundaries, 2)
bcfix = DirichletBC(W.sub(0),
Constant((0.0, 0.0, 0.0)),
fix,
method="pointwise") # at one vertex u = v = w = 0
bclower = DirichletBC(
W.sub(0).sub(2), Constant((0.0)), facetboundaries,
4) # u3 = 0 on lower face
bcfront = DirichletBC(
W.sub(0).sub(1), Constant((0.0)), facetboundaries,
5) # u2 = 0 on front face
bcs = [bcleft, bclower, bcfront, bcright, bcfix]
du, dp = TrialFunctions(W)
w = Function(W)
dw = TrialFunction(W)
(u, p) = split(w)
(v, q) = TestFunctions(W)
wtest = TestFunction(W)
params = {
"mesh": mesh,
"facetboundaries": facetboundaries,
"facet_normal": N,
"mixedfunctionspace": W,
"mixedfunction": w,
"displacement_variable": u,
"pressure_variable": p,
"fiber": f0,
"sheet": s0,
"sheet-normal": n0,
#"C_param": Cparam,
"incompressible": isincomp,
"Kappa": Constant(1e5)
}
params.update(passive_params)
uflforms = Forms(params)
Fmat = uflforms.Fmat()
Cmat = (Fmat.T * Fmat)
Emat = uflforms.Emat()
J = uflforms.J()
n = J * inv(Fmat.T) * N
dx = dolfin.dx(mesh, metadata={"integration_order": 2})
#Ematrix = project(Emat, TF)
Wp = uflforms.PassiveMatSEF()
#Active force calculation------------------------------------------------------
y_vec = Function(Quad_vectorized_Fspace)
hsl = sqrt(dot(f0, Cmat * f0)) * hsl0
hsl_old = Function(Quad)
#hsl_old = hsl
delta_hsl = hsl - hsl_old
#delta_hsl = 0.0
#f_holder = Constant(0.0)
cb_force = Constant(0.0)
y_vec_split = split(y_vec)
print "shape of yvecsplit " + str(np.shape(y_vec_split))
for jj in range(no_of_states):
f_holder = Constant(0.0)
temp_holder = Constant(0.0)
if state_attached[jj] == 1:
cb_ext = cb_extensions[jj]
for kk in range(no_of_x_bins):
dxx = xx[kk] + delta_hsl * filament_compliance_factor
n_pop = y_vec_split[n_vector_indices[jj][0] + kk]
temp_holder = n_pop * k_cb_multiplier[jj] * (
dxx + cb_ext) * conditional(gt(dxx + cb_ext, 0.0),
k_cb_pos, k_cb_neg)
#temp_holder = temp_holder*conditional(gt(abs(dxx),x_bin_max),0.0,1.0)
#f_holder = f_holder + conditional(gt(temp_holder,0.0),temp_holder,0.0)
f_holder = f_holder + temp_holder
f_holder = f_holder * cb_number_density * 1e-9
f_holder = f_holder * alpha_value
cb_force = cb_force + f_holder
#print "rank" + str(f0.rank())
Pactive = cb_force * as_tensor(s0[i] * s0[j], (i, j))
Press = Expression(("P"), P=0.0, degree=0)
# Automatic differentiation #####################################################################################################
F1 = derivative(Wp, w, wtest) * dx
F2 = inner(Fmat * Pactive, grad(v)) * dx
F3 = inner(Press * N, v) * ds(2, domain=mesh)
Ftotal = F1 + F2 - F3
Jac1 = derivative(F1, w, dw)
Jac2 = derivative(F2, w, dw)
Jac3 = derivative(F3, w, dw)
Jac = Jac1 + Jac2 - Jac3
##################################################################################################################################
# Contraction phase
'''header_file = open("./C++/hs.h","r")
code = header_file.read()
header_file.close()
ext_module = compile_extension_module(code=code, source_directory="C++", sources=["hs.cpp", "mf.cpp", "Ca.cpp", "base_parameters.cpp"],
additional_system_headers=["petscvec.h"],
include_dirs=[".", os.path.abspath("C++"),"/usr/include", "./C++"],
library_dirs = ['/usr/lib/x86_64-linux-gnu'],
libraries = ['libgsl.a'])
Myosim = ext_module.hs()
_FE_params = {"step_size": step_size};
Myosim.FE_params.update(_FE_params)
_Ca_params = {"Ca_flag": Ca_flag};
Myosim.Ca_params.update(_Ca_params)
_Ca_params = {"constant_pCa": constant_pCa};
Myosim.Ca_params.update(_Ca_params)'''
darray = []
tarray = []
hslarray = []
calarray = []
strarray = []
pstrarray = []
overlaparray = np.zeros((time_steps + 1, no_of_int_points))
y_vec_array = y_vec.vector().get_local()[:]
hsl_array = project(hsl, Quad).vector().get_local()[:]
#hsl_array = np.ones(no_of_int_points)*hsl0
delta_hsl_array = np.zeros(no_of_int_points)
for counter in range(0, n_array_length * no_of_int_points, n_array_length):
#y_vec_array[counter] = 1
# Starting all in on state for Debugging
y_vec_array[counter] = 1
y_vec_array[counter - 2] = 1
Pg, Pff, alpha = uflforms.stress()
temp_DG = project(Pff,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
temp_DG_1 = project(alpha,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
alphas = interpolate(temp_DG_1, Quad)
alpha_array = alphas.vector().get_local()[:]
'''P,S,T = uflforms.stress()
Pff = inner(f0,P*f0)
p_f = project(Pff, Quad)
p_f_array = p_f.vector().get_local()[:]'''
#p_f = np.load("/home/fenics/shared/python_dev/test_10/passive_forces.npy")
cb_f_array = project(cb_force, Quad).vector().get_local()[:]
dumped_populations = np.zeros(
(time_steps, no_of_int_points, n_array_length))
y_interp = np.zeros(no_of_int_points * n_array_length)
t = 0.0
#delta_hsls = np.zeros((time_steps,24))
for l in range(time_steps):
tarray.append(t)
for m in range(no_of_int_points):
for k in range(n_array_length):
dumped_populations[l, m, k] = y_interp[m * n_array_length + k]
#hslarray.append(hsl_array[0])
#strarray.append(cb_f_array[0])
#pstrarray.append(p_f_array[0])
# _Ca_params = {"time_point": l};
# Myosim.Ca_params.update(_Ca_params)
#print p_f[l]
#for k in range(no_of_int_points):
# pop_holder = implement.update_simulation(hs, step_size, delta_hsl_array[k], hsl_array[k], y_vec_array[k*n_array_length:(k+1)*n_array_length],p_f_array[k], cb_f_array[k], prev_ca[l])
# y_vec_array_new = Myosim.apply_time_step(y_vec_array, delta_hsl_array, hsl_array, p_f_array, cb_f_array)
#y_vec_array_new[k*n_array_length:(k+1)*n_array_length] = pop_holder
# Right now, not general. The calcium depends on cycle number, just saying 0
cycle = 0
calcium[l] = cell_ion.model_class.calculate_concentrations(cycle, t)
#calcium[l] = cell_ion.model.calculate_concentrations(0,t)
# Looping through integration points within Python Myosim, not here
# Debugging, checking if y_input matches y_output between steps
#print y_vec_array[0:53]
# Quick hack
if l == 0:
overlap_counter = 1
else:
overlap_counter = l
temp_overlap, y_interp, y_vec_array_new = implement.update_simulation(
hs, step_size, delta_hsl_array, hsl_array, y_vec_array, p_f_array,
cb_f_array, calcium[l], n_array_length, t,
overlaparray[overlap_counter, :])
# print y_vec_array_new[0:53]
y_vec_array = y_vec_array_new # for Myosim
y_vec.vector()[:] = y_vec_array # for PDE
# print y_vec_array[0:53]
hsl_array_old = hsl_array
solve(Ftotal == 0,
w,
bcs,
J=Jac,
form_compiler_parameters={"representation": "uflacs"},
solver_parameters={
"newton_solver": {
"relative_tolerance": 1e-8
},
"newton_solver": {
"maximum_iterations": 50
},
"newton_solver": {
"absolute_tolerance": 1e-8
}
})
np.save(output_path + "dumped_populations", dumped_populations)
np.save(output_path + "tarray", tarray)
np.save(output_path + "stress_array", strarray)
np.save(output_path + "hsl", hslarray)
np.save(output_path + "overlap", overlaparray)
np.save(output_path + "pstress_array", pstrarray)
#np.save(output_path + "alpha_array",alphaarray)
np.save(output_path + "calcium", calarray)
displacementfile << w.sub(0)
hsl_old.vector()[:] = project(hsl,
Quad).vector().get_local()[:] # for PDE
hsl_array = project(hsl, Quad).vector().get_local()[:] # for Myosim
delta_hsl_array = project(
sqrt(dot(f0, Cmat * f0)) * hsl0,
Quad).vector().get_local()[:] - hsl_array_old # for Myosim
#delta_hsls[l] = delta_hsl_array
temp_DG = project(
Pff,
FunctionSpace(mesh, "DG", 1),
form_compiler_parameters={"representation": "uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
cb_f_array = project(cb_force, Quad).vector().get_local()[:]
strarray.append(cb_f_array[0])
pstrarray.append(p_f_array[0])
hslarray.append(hsl_array[0] + delta_hsl_array[0])
overlaparray[l, :] = temp_overlap
#print(cb_f_array)
"""if t <= 100: # stretch to 1300
u_D.u_D += .003
if t < 500 and t > 100:
u_D.u_D =u_D.u_D
if t < 600 and t >= 500:
u_D.u_D += .0005
if t < 800 and t >=600:
u_D.u_D = u_D.u_D
if t < 900 and t >= 800:
u_D.u_D -= .0005
if t >= 900:
u_D.u_D = u_D.u_D"""
"""if t < 170 and t > 150:
u_D.u_D -= 0.005
else:
u_D.u_D = u_D.u_D"""
if t < 20:
u_D.u_D += 0.001
else:
u_D.u_D = u_D.u_D
t = t + step_size
calarray.append(hs.Ca_conc * np.ones(no_of_int_points))
# Update Fiber orientation
#f0 = f0+step_size*(Cmat*f0-f0)/sqrt(inner(Cmat*f0-f0,Cmat*f0-f0))
target_vec = Cmat * f0
#print target_vec.type()
#target_diff = target_vec - f0
#target_diff = target_diff/sqrt(inner(target_diff,target_diff))
#f0 = f0 + step_size*target_diff
#File(output_path + "fiber_" +str(t)+ ".pvd") << project(f0, VectorFunctionSpace(mesh, "CG", 1))
"""for m in range(no_of_int_points):
for k in range(n_array_length):
dumped_populations[l, m, k] = y_vec_array[m * n_array_length + k]"""
rate_constants = np.zeros((no_of_x_bins, no_of_transitions + 1))
#for l in range(no_of_x_bins):
# for m in range(no_of_transitions + 1):
# rate_constants[l,m] = Myosim.dump_rate_constants(l, m, 0)
fluxes, rates = implement.return_rates_fenics(hs)
#np.save("/home/fenics/shared/python_dev/test_10_pm/rates",rates)
#np.save("/home/fenics/shared/python_dev/test_10_pm/dumped_populations",dumped_populations)
#np.save("/home/fenics/shared/python_dev/test_10_pm/tarray",tarray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/stress_array",strarray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/pstress_array",p_f)
#np.save("/home/fenics/shared/python_dev/test_10_pm/calcium",calarray)
#np.save("/home/fenics/shared/test_10/displacements",darray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/HSL",hslarray)
#np.save("/home/fenics/shared/test_10/DHSL",delta_hsls)
outputs = {
"rates": rates,
"dumped_populations": dumped_populations,
"tarray": tarray,
"strarray": strarray,
"pstrarray": pstrarray,
"alphaarray": darray,
"calarray": calarray,
"hsl": hslarray,
"overlap": overlaparray
}
np.save(output_path + "dumped_populations", dumped_populations)
np.save(output_path + "tarray", tarray)
np.save(output_path + "stress_array", strarray)
np.save(output_path + "hsl", hslarray)
np.save(output_path + "overlap", overlaparray)
np.save(output_path + "pstress_array", pstrarray)
#np.save(output_path + "alpha_array",alphaarray)
np.save(output_path + "calcium", calarray)
fdataCa.close()
return (outputs)
def fenics(sim_params,file_inputs,output_params,passive_params,hs_params,cell_ion_params,monodomain_params,windkessel_params,pso):
# marking these as indices because this is a function called from fenics_driver
i,j = indices(2)
#------------------## Load in all information and set up simulation --------
output_path = output_params["output_path"][0]
displacementfile = File(output_path + "u_disp.pvd")
save_output = sim_params["save_output"][0]
filament_compliance_factor = hs_params["myofilament_parameters"]["filament_compliance_factor"][0]
no_of_states = hs_params["myofilament_parameters"]["num_states"][0]
no_of_attached_states = hs_params["myofilament_parameters"]["num_attached_states"][0]
no_of_detached_states = no_of_states-no_of_attached_states
no_of_transitions = hs_params["myofilament_parameters"]["num_transitions"][0]
state_attached = hs_params["myofilament_parameters"]["state_attached"][0]
cb_extensions = hs_params["myofilament_parameters"]["cb_extensions"][0]
k_cb_multiplier = hs_params["myofilament_parameters"]["k_cb_multiplier"][0]
k_cb_pos = hs_params["myofilament_parameters"]["k_cb_pos"][0]
k_cb_neg = hs_params["myofilament_parameters"]["k_cb_neg"][0]
cb_number_density = hs_params["cb_number_density"][0]
alpha_value = hs_params["myofilament_parameters"]["alpha"][0]
x_bin_min = hs_params["myofilament_parameters"]["bin_min"][0]
x_bin_max = hs_params["myofilament_parameters"]["bin_max"][0]
x_bin_increment = hs_params["myofilament_parameters"]["bin_width"][0]
work_loop = sim_params["work_loop"][0]
## --------- Set up information for active force calculation ------------------
# Create x interval for cross-bridges
xx = np.arange(x_bin_min, x_bin_max + x_bin_increment, x_bin_increment)
# Define number of intervals cross-bridges are defined over
no_of_x_bins = np.shape(xx)[0]
# Define the length of the populations vector
n_array_length = no_of_attached_states * no_of_x_bins + no_of_detached_states + 2
print "n array length = " + str(n_array_length)
n_vector_indices = [[0,0], [1,1], [2,2+no_of_x_bins-1]]
hsl0 = hs_params["initial_hs_length"][0]
step_size = sim_params["sim_timestep"][0]
sim_duration = sim_params["sim_duration"][0]
time_steps = int(sim_duration/step_size +1)
Ca_flag = 4
constant_pCa = 6.5
fdataCa = open(output_path + "calcium_.txt", "w", 0)
pk1file = File(output_path + "pk1_act_on_f0.pvd")
hsl_file = File(output_path + "hsl_mesh.pvd")
# holder for reaction force at right end
fx_rxn = np.zeros((time_steps))
shorten_flag = 0 # switches to one if shortening begins
# Define the cylinder
x = 10.0
y = 0.0
z = 0.0
cyl_top = Point(x,y,z)
cyl_bottom = Point(0,0,0)
top_radius = 1.0
bottom_radius = 1.0
segments = 4
geometry = mshr.Cylinder(cyl_top,cyl_bottom,top_radius,bottom_radius,segments)
# Create the mesh
mesh = mshr.generate_mesh(geometry,20)
# Save the mesh
File('cylinder_3.pvd') << mesh
no_of_int_points = 4 * np.shape(mesh.cells())[0]
# General quadrature element whose points we will evaluate myosim at
Quadelem = FiniteElement("Quadrature", tetrahedron, degree=2, quad_scheme="default")
Quadelem._quad_scheme = 'default'
# Vector element at gauss points (for fibers)
VQuadelem = VectorElement("Quadrature", mesh.ufl_cell(), degree=2, quad_scheme="default")
VQuadelem._quad_scheme = 'default'
# Real element for rigid body motion boundary condition
Relem = FiniteElement("Real", mesh.ufl_cell(), 0, quad_scheme="default")
Relem._quad_scheme = 'default'
# Quadrature space for information needed at gauss points, such as
# hsl, cb_force, passive forces, etc.
Quad = FunctionSpace(mesh, Quadelem)
# Initialize the half-sarcomere class. Its methods will be used to solve for cell populations
hs = half_sarcomere.half_sarcomere(hs_params,1)
# Need to create a list of dictionaries for parameters for each gauss point
hs_params_list = [{}]*no_of_int_points
passive_params_list = [{}]*no_of_int_points
# Initialize ion class (get calcium transient from here)
cell_ion = cell_ion_driver.cell_ion_driver(cell_ion_params)
calcium = np.zeros(time_steps)
calcium[0] = cell_ion.calculate_concentrations(0,0)
for jj in np.arange(np.shape(hs_params_list)[0]):
hs_params_list[jj] = copy.deepcopy(hs_params)
passive_params_list[jj] = copy.deepcopy(passive_params)
# Create a simple expression to test if x_coord is > 9.0
# making last 10% of cylinder spring elements
tester = Expression("x[0]",degree=1)
digitation = Expression("pow(x[1],2) + pow(x[2],2) + 0.5",degree=1)
point_radius = Expression("sqrt(pow(x[1],2)+pow(x[2],2))",degree=1)
# Project the expression onto the mesh
temp_tester_values = project(tester,FunctionSpace(mesh,"DG",1),form_compiler_parameters={"representation":"uflacs"})
dig_values = project(digitation,FunctionSpace(mesh,"DG",1),form_compiler_parameters={"representation":"uflacs"})
point_rad_values = project(point_radius,FunctionSpace(mesh,"DG",1),form_compiler_parameters={"representation":"uflacs"})
# Interpolate onto the FunctionSpace for quadrature points
temp_tester = interpolate(temp_tester_values,Quad)
dig = interpolate(dig_values,Quad)
point_rad = interpolate(point_rad_values,Quad)
# Create array of the expression values
temp_tester_array = temp_tester.vector().get_local()
dig_array = dig.vector().get_local()
point_rad_array = point_rad.vector().get_local()
parameters["form_compiler"]["quadrature_degree"]=2
parameters["form_compiler"]["representation"] = "quadrature"
# defining parts of the model where the boundary condition should be applied later
# where x[0] = 0
class Left(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[0]) < tol
# where x[0] = 10
class Right(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return on_boundary and abs(x[0]-10.0) < tol
class Fix_y(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-1
return near(x[0],0.0,tol) and near(x[1],0.0,tol)
class Fix_y_right(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return near(x[0],10.0,tol) and near(x[1],0.0,tol)
class Fix_z_right(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return near(x[0],10.0,tol) and near(x[2],0.0,tol)
class Fix_z(SubDomain):
def inside(self, x, on_boundary):
tol = 1E-14
return (near(x[0],0.0,tol) and near(x[2],0.0,tol))
# now test_marker_fcn has value of 1 on right boundary always
# Define spatial coordinate system used in rigid motion constraint
X = SpatialCoordinate (mesh)
facetboundaries = MeshFunction('size_t', mesh, mesh.topology().dim()-1)
edgeboundaries = MeshFunction('size_t', mesh, mesh.topology().dim()-2)
facetboundaries.set_all(0)
left = Left()
right = Right()
fix_y = Fix_y()
fix_y_right = Fix_y_right()
fix_z = Fix_z()
fix_z_right = Fix_z_right()
#horizontal = Horizontal()
#lower = Lower()
#front = Front()
#
left.mark(facetboundaries, 1)
right.mark(facetboundaries, 2)
fix_y.mark(facetboundaries, 3)
#horizontal.mark(facetboundaries,4)
fix_z.mark(facetboundaries,5)
marker_space = FunctionSpace(mesh,'CG',1)
bc_right_test = DirichletBC(marker_space,Constant(1),facetboundaries,2)
test_marker_fcn = Function(marker_space)
bc_right_test.apply(test_marker_fcn.vector())
File(output_path + "facetboundaries.pvd") << facetboundaries
#lower.mark(facetboundaries, 4)
#front.mark(facetboundaries, 5)
#
ds = dolfin.ds(subdomain_data = facetboundaries)
#
###############################################################################
isincomp = True#False
N = FacetNormal (mesh)
#Cparam = Constant(1.0e2)
TF = TensorFunctionSpace(mesh, 'DG', 1)
Velem = VectorElement("Lagrange", tetrahedron, 2, quad_scheme="default")
Velem._quad_scheme = 'default'
Qelem = FiniteElement("Lagrange", tetrahedron, 1, quad_scheme="default")
Qelem._quad_scheme = 'default'
# Mixed element for rigid body motion. One each for x, y displacement. One each for
# x, y, z rotation
VRelem = MixedElement([Relem, Relem, Relem, Relem, Relem])
W = FunctionSpace(mesh, MixedElement([Velem,Qelem,VRelem]))
x_dofs = W.sub(0).sub(0).dofmap().dofs()
Quad_vectorized_Fspace = FunctionSpace(mesh, MixedElement(n_array_length*[Quadelem]))
# Kurtis trying to initialize vectors
fiberFS = FunctionSpace(mesh, VQuadelem)
f0 = Function(fiberFS)
s0 = Function(fiberFS)
n0 = Function(fiberFS)
f0_diff = Function(fiberFS)
c_param = Function(Quad)
c2_param = Function(Quad)
c3_param = Function(Quad)
File(output_path + "fiber1.pvd") << project(f0, VectorFunctionSpace(mesh, "DG", 0))
m_x = 1.0
m_y = 0.0
m_z = 0.0
width = sim_params["width"][0]
#x_comps = r.normal(m_x,width,no_of_int_points)
#y_comps = r.normal(m_y,width,no_of_int_points)
#z_comps = r.normal(m_z,width,no_of_int_points)
for jj in np.arange(no_of_int_points):
#if (temp_tester_array[jj] < dig_array[jj]) or (temp_tester_array[jj] > -dig_array[jj] + 10.0):
if (temp_tester_array[jj] > 9.0) or (temp_tester_array[jj] < 1.0):
# inside left end
f0.vector()[jj*3] = 1.0
f0.vector()[jj*3+1] = 0.0
f0.vector()[jj*3+2] = 0.0
hs_params_list[jj]["myofilament_parameters"]["k_3"][0] = 0.0
#passive_params_list[jj]["c"][0] = 2000
c_param.vector()[jj] = 400
c2_param.vector()[jj] = 250
c3_param.vector()[jj] = 10
else:
# In middle region, assign fiber vector
# find radius of point
temp_radius = point_rad_array[jj]
if np.abs(temp_radius - top_radius) < 0.01:
temp_width = 0.0
else:
temp_width = width*(1.0-(temp_radius*temp_radius/(top_radius*top_radius)))
f0.vector()[jj*3] = r.normal(m_x,temp_width,1)[0]
f0.vector()[jj*3+1] = r.normal(m_y,temp_width,1)[0]
f0.vector()[jj*3+2] = r.normal(m_z,temp_width,1)[0]
c_param.vector()[jj] = 1000
c2_param.vector()[jj] = 250
c3_param.vector()[jj] = 15
"""f0.vector()[kk*3] = x_comps[kk]
# assign y component
f0.vector()[kk*3+1] = y_comps[kk]
# z component would look like
f0.vector()[kk*3+2] = z_comps[kk]"""
f0 = f0/sqrt(inner(f0,f0))
#f0_norm = project(sqrt(inner(f0,f0)),FunctionSpace(mesh,"CG",1))
#print "norm is " + str(f0_norm.vector().array())
#stop
f0_diff = f0 - Constant((1.,0.,0.))
long_axis = Function(fiberFS)
for nn in np.arange(no_of_int_points):
long_axis.vector()[nn*3] = 0.0
long_axis.vector()[nn*3+1] = 0.0
long_axis.vector()[nn*3+2] = 1.0
#s0 = f0 + f0_diff # sum object
#n0 = cross(f0,s0) # cross object
#s0 = project(Constant((0,1,0))+f0_diff,VectorFunctionSpace(mesh, "DG", 0))
s0 = cross(long_axis,f0)
s0 = s0/sqrt(inner(s0,s0))
File(output_path + "sheet.pvd") << project(s0,VectorFunctionSpace(mesh, "DG", 0))
n0 = project(cross(f0,s0),VectorFunctionSpace(mesh, "DG", 0))
n0 = n0/sqrt(inner(n0,n0))
File(output_path + "sheet_normal.pvd") << project(n0,VectorFunctionSpace(mesh, "DG", 0))
File(output_path + "fiber.pvd") << project(f0, VectorFunctionSpace(mesh, "CG", 1))
#test_tensor = as_tensor(f0*f0)
# assigning BCs
u_D = Expression(("u_D"), u_D = 0.0, degree = 2)
bcleft= DirichletBC(W.sub(0).sub(0), Constant((0.0)), facetboundaries, 1) # u1 = 0 on left face
bcright= DirichletBC(W.sub(0).sub(0), u_D, facetboundaries, 2)
bcfix_y = DirichletBC(W.sub(0).sub(1), Constant((0.0)), fix_y, method="pointwise")
bcfix_z = DirichletBC(W.sub(0).sub(2), Constant((0.0)), fix_z, method="pointwise") # at one vertex u = v = w = 0
bcfix_y_right = DirichletBC(W.sub(0).sub(1), Constant((0.0)),fix_y_right, method="pointwise")
bcfix_z_right = DirichletBC(W.sub(0).sub(2), Constant((0.0)),fix_z_right, method="pointwise")
#bchorizontal = DirichletBC(W.sub(0).sub(1), Constant((0.0)), horizontal, method="pointwise")
#bclower= DirichletBC(W.sub(0).sub(2), Constant((0.0)), facetboundaries, 4) # u3 = 0 on lower face
#bcfront= DirichletBC(W.sub(0).sub(1), Constant((0.0)), facetboundaries, 5) # u2 = 0 on front face
#bcs = [bcleft, bclower, bcfront, bcright,bcfix]
bcs = [bcleft, bcright,bcfix_y,bcfix_z,bcfix_y_right,bcfix_z_right]
du,dp,dc11 = TrialFunctions(W)
w = Function(W)
dw = TrialFunction(W)
(u,p,c11) = split(w)
(v,q,v11) = TestFunctions(W)
wtest = TestFunction(W)
params= {"mesh": mesh,
"facetboundaries": facetboundaries,
"facet_normal": N,
"mixedfunctionspace": W,
"mixedfunction": w,
"displacement_variable": u,
"pressure_variable": p,
"fiber": f0,
"sheet": s0,
"sheet-normal": n0,
#"C_param": Cparam,
"incompressible": isincomp,
"Kappa":Constant(1e5)}
params.update(passive_params)
params["c"] = c_param
params["c2"] = c2_param
params["c3"] = c3_param
uflforms = Forms(params)
Fmat = uflforms.Fmat()
Cmat = (Fmat.T*Fmat)
Emat = uflforms.Emat()
J = uflforms.J()
n = J*inv(Fmat.T)*N
dx = dolfin.dx(mesh,metadata = {"integration_order":2})
#Ematrix = project(Emat, TF)
Wp = uflforms.PassiveMatSEF()
#Active force calculation------------------------------------------------------
y_vec = Function(Quad_vectorized_Fspace)
hsl = sqrt(dot(f0, Cmat*f0))*hsl0
hsl_old = Function(Quad)
#hsl_old = hsl
delta_hsl = hsl - hsl_old
#delta_hsl = 0.0
#f_holder = Constant(0.0)
cb_force = Constant(0.0)
y_vec_split = split(y_vec)
#print "shape of yvecsplit " + str(np.shape(y_vec_split))
for jj in range(no_of_states):
f_holder = Constant(0.0)
temp_holder = Constant(0.0)
if state_attached[jj] == 1:
cb_ext = cb_extensions[jj]
for kk in range(no_of_x_bins):
dxx = xx[kk] + delta_hsl * filament_compliance_factor
n_pop = y_vec_split[n_vector_indices[jj][0] + kk]
temp_holder = n_pop * k_cb_multiplier[jj] * (dxx + cb_ext) * conditional(gt(dxx + cb_ext,0.0), k_cb_pos, k_cb_neg)
#temp_holder = temp_holder*conditional(gt(abs(dxx),x_bin_max),0.0,1.0)
#f_holder = f_holder + conditional(gt(temp_holder,0.0),temp_holder,0.0)
f_holder = f_holder + temp_holder
f_holder = f_holder * cb_number_density * 1e-9
f_holder = f_holder * alpha_value
cb_force = cb_force + f_holder
#print "rank" + str(f0.rank())
Pactive = cb_force * as_tensor(f0[i]*f0[j], (i,j))
Press = Expression(("P"), P=0.0, degree=0)
# Automatic differentiation #####################################################################################################
F1 = derivative(Wp, w, wtest)*dx
F2 = inner(Fmat*Pactive, grad(v))*dx
F3 = inner(Press*N, v)*ds(2, domain=mesh)
# constrain rigid body motion
"""L4 = inner(as_vector([c11[0], c11[1], 0.0]), u)*dx + \
inner(as_vector([0.0, 0.0, c11[2]]), cross(X, u))*dx + \
inner(as_vector([c11[3], 0.0, 0.0]), cross(X, u))*dx + \
inner(as_vector([0.0, c11[4], 0.0]), cross(X, u))*dx
F4 = derivative(L4, w, wtest)"""
Ftotal = F1 + F2 - F3 #+ F4
Jac1 = derivative(F1, w, dw)
Jac2 = derivative(F2, w, dw)
Jac3 = derivative(F3, w, dw)
#Jac4 = derivative(F4, w, dw)
Jac = Jac1 + Jac2 - Jac3 #+ Jac4
##################################################################################################################################
darray = []
"""hslarray = np.zeros((time_steps+1,no_of_int_points))
calarray = []
strarray = np.zeros((time_steps+1,no_of_int_points))
pstrarray = np.zeros((time_steps+1,no_of_int_points))
overlaparray = np.zeros((time_steps+1,no_of_int_points))"""
calcium_ds = pd.DataFrame(np.zeros(no_of_int_points),index=None)
calcium_ds = calcium_ds.transpose()
calcium = np.zeros(time_steps)
active_stress_ds = pd.DataFrame(np.zeros(no_of_int_points),index=None)
active_stress_ds = active_stress_ds.transpose()
dumped_populations_ds = pd.DataFrame(np.zeros((no_of_int_points,n_array_length)))
tarray_ds = pd.DataFrame(np.zeros(time_steps+1),index=None)
tarray_ds = tarray_ds.transpose()
tarray = np.zeros(time_steps)
p_f_array_ds = pd.DataFrame(np.zeros(no_of_int_points),index=None)
p_f_array_ds = p_f_array_ds.transpose()
pgf_array_ds = pd.DataFrame(np.zeros(no_of_int_points),index=None)
pgf_array_ds = pgf_array_ds.transpose()
pgt_array_ds = pd.DataFrame(np.zeros(no_of_int_points),index=None)
pgt_array_ds = pgt_array_ds.transpose()
pgs_array_ds =pd.DataFrame(np.zeros(no_of_int_points),index=None)
pgs_array_ds = pgs_array_ds.transpose()
temp_overlap_ds = pd.DataFrame(np.zeros(no_of_int_points),index=None)
temp_overlap_ds = temp_overlap_ds.transpose()
alpha_array_ds = pd.DataFrame(np.zeros(no_of_int_points),index=None)
alpha_array_ds = alpha_array_ds.transpose()
hsl_array_ds =pd.DataFrame(np.zeros(no_of_int_points),index=None)
hsl_array_ds = hsl_array_ds.transpose()
delta_hsl_array_ds = pd.DataFrame(np.zeros(no_of_int_points),index=None)
delta_hsl_array_ds = delta_hsl_array_ds.transpose()
y_vec_array = y_vec.vector().get_local()[:]
hsl_array = project(hsl, Quad).vector().get_local()[:]
#hsl_array = np.ones(no_of_int_points)*hsl0
delta_hsl_array = np.zeros(no_of_int_points)
for counter in range(0,n_array_length * no_of_int_points,n_array_length):
y_vec_array[counter] = 1
y_vec_array[counter-2] = 1
Pg, Pff, alpha = uflforms.stress()
# Magnitude of bulk passive stress in fiber direction
Pg_fiber = inner(f0,Pg*f0)
Pg_transverse = inner(n0,Pg*n0)
Pg_shear = inner(n0,Pg*f0)
temp_DG = project(Pff, FunctionSpace(mesh, "DG", 1), form_compiler_parameters={"representation":"uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
temp_DG_1 = project(alpha, FunctionSpace(mesh, "DG", 1), form_compiler_parameters={"representation":"uflacs"})
alphas = interpolate(temp_DG_1, Quad)
alpha_array = alphas.vector().get_local()[:]
cb_f_array = project(cb_force, Quad).vector().get_local()[:]
dumped_populations = np.zeros((no_of_int_points, n_array_length))
y_interp = np.zeros((no_of_int_points)*n_array_length)
x_dofs = W.sub(0).sub(0).dofmap().dofs()
temp_overlap = np.zeros((no_of_int_points))
y_vec_array_new = np.zeros(((no_of_int_points)*n_array_length))
j3_fluxes = np.zeros((no_of_int_points,time_steps))
j4_fluxes = np.zeros((no_of_int_points,time_steps))
#print "shapes of stuff"
#print np.shape(temp_overlap)
#print np.shape(y_vec_array_new)
temp_astress = np.ones(no_of_int_points)
t = 0.0
#delta_hsls = np.zeros((time_steps,24))
for l in range(time_steps):
tarray[l]=(t)
# Right now, not general. The calcium depends on cycle number, just saying 0
cycle = 0
#calcium[l] = cell_ion.model_class.calculate_concentrations(cycle,t)
calcium[l] = cell_ion.calculate_concentrations(step_size,l)
#calcium[l] = cell_ion.model.calculate_concentrations(0,t)
# Looping through integration points within Python Myosim, not here
# Quick hack
if l == 0:
overlap_counter = 1
else:
overlap_counter = l
# Because we want to be able to change contractility parameters for each
# gauss point, we need to loop through the gauss points here
#temp_overlap, y_interp, y_vec_array_new = implement.update_simulation(hs, step_size, delta_hsl_array, hsl_array, y_vec_array, p_f_array, cb_f_array, calcium[l], n_array_length, t,overlaparray[overlap_counter,:])
#print "hs list dict " + str(hs_params_list
#print "y_vec_new " + str(y_vec_array_new)
for mm in np.arange(no_of_int_points):
#print hsl_array[mm]
temp_overlap[mm], y_interp[mm*n_array_length:(mm+1)*n_array_length], y_vec_array_new[mm*n_array_length:(mm+1)*n_array_length] = implement.update_simulation(hs, step_size, delta_hsl_array[mm], hsl_array[mm], y_vec_array[mm*n_array_length:(mm+1)*n_array_length], p_f_array[mm], cb_f_array[mm], calcium[l], n_array_length, t,hs_params_list[mm])
temp_flux_dict, temp_rate_dict = implement.return_rates_fenics(hs)
#print temp_flux_dict["J3"]
j3_fluxes[mm,l] = sum(temp_flux_dict["J3"])
j4_fluxes[mm,l] = sum(temp_flux_dict["J4"])
# print y_vec_array_new[0:53]
y_vec_array = y_vec_array_new # for Myosim
print " num gauss points " + str(no_of_int_points)
print "y_vec shape" + str(np.shape(y_vec_array))
print "y_interp shape" + str(np.shape(y_interp))
for m in range(no_of_int_points):
for k in range(n_array_length):
dumped_populations[m, k] = y_interp[m * n_array_length + k]
#print "shapes of stuff"
#print np.shape(y_vec.vector())
#print np.shape(y_vec_array)
y_vec.vector()[:] = y_vec_array # for PDE
# print y_vec_array[0:53]
hsl_array_old = hsl_array
# trying to implement a work loop
if work_loop:
if l>0:
temp_astress = cb_f_array[:]
temp_astress = temp_astress[temp_astress > 0.0]
if np.shape(temp_astress)[0] == 0:
temp_astress=0.0
"""if l > 2:
u_check = project(u,VectorFunctionSpace(mesh,"CG",2))
disp_value = u_check.vector()[test_marker_fcn.vector()==1]
print "displacement after shortening on right is = " + str(disp_value[0])
u_D.u_D=disp_value[0]"""
if np.average(temp_astress>=50000):
Press.P=50000
bcs = [bcleft,bcfix_y,bcfix_z,bcfix_y_right,bcfix_z_right]
shorten_flag = 1
else:
if shorten_flag < 0:
u_D.u_D = u_D.u_D
Press.P=0.0
if shorten_flag > 0:
u_check = project(u,VectorFunctionSpace(mesh,"CG",2))
disp_value = u_check.vector()[test_marker_fcn.vector()==1]
print "displacement after shortening on right is = " + str(disp_value[0])
u_D.u_D=disp_value[0]
shorten_flag = -1
bcs = [bcleft,bcright,bcfix_y,bcfix_z,bcfix_y_right,bcfix_z_right]
solve(Ftotal == 0, w, bcs, J = Jac, form_compiler_parameters={"representation":"uflacs"},solver_parameters={"newton_solver":{"relative_tolerance":1e-8},"newton_solver":{"maximum_iterations":50},"newton_solver":{"absolute_tolerance":1e-8}})
"""np.save(output_path +"dumped_populations", dumped_populations)
np.save(output_path + "tarray", tarray)
np.save(output_path + "stress_array", strarray)
np.save(output_path + "hsl", hslarray)
np.save(output_path + "overlap", overlaparray)
np.save(output_path + "pstress_array",pstrarray)
#np.save(output_path + "alpha_array",alphaarray)
np.save(output_path + "calcium",calarray)"""
displacementfile << w.sub(0)
pk1temp = project(inner(f0,Pactive*f0),FunctionSpace(mesh,'CG',1))
pk1temp.rename("pk1temp","pk1temp")
pk1file << pk1temp
hsl_temp = project(hsl,FunctionSpace(mesh,'DG',1))
hsl_temp.rename("hsl_temp","hsl")
#hsl_file << hsl_temp
hsl_old.vector()[:] = project(hsl, Quad).vector().get_local()[:] # for PDE
hsl_array = project(hsl, Quad).vector().get_local()[:] # for Myosim
delta_hsl_array = project(sqrt(dot(f0, Cmat*f0))*hsl0, Quad).vector().get_local()[:] - hsl_array_old # for Myosim
#delta_hsls[l] = delta_hsl_array
temp_DG = project(Pff, FunctionSpace(mesh, "DG", 1), form_compiler_parameters={"representation":"uflacs"})
p_f = interpolate(temp_DG, Quad)
p_f_array = p_f.vector().get_local()[:]
for ii in range(np.shape(hsl_array)[0]):
if p_f_array[ii] < 0.0:
p_f_array[ii] = 0.0
temp_DG_2 = project(Pg_fiber, FunctionSpace(mesh, "DG", 1), form_compiler_parameters={"representation":"uflacs"})
pgf = interpolate(temp_DG_2, Quad)
pgf_array = pgf.vector().get_local()[:]
temp_DG_3 = project(Pg_transverse, FunctionSpace(mesh, "DG", 1), form_compiler_parameters={"representation":"uflacs"})
pgt = interpolate(temp_DG_3, Quad)
pgt_array = pgt.vector().get_local()[:]
temp_DG_4 = project(Pg_shear, FunctionSpace(mesh, "DG", 1), form_compiler_parameters={"representation":"uflacs"})
pgs = interpolate(temp_DG_4, Quad)
pgs_array = pgs.vector().get_local()[:]
cb_f_array = project(cb_force, Quad).vector().get_local()[:]
#strarray.append(cb_f_array[0])
#strarray[l,:] = cb_f_array[:]
#pstrarray[l,:] = p_f_array[:]
#hslarray.append(hsl_array[0]+delta_hsl_array[0])
#hslarray[l,:] = hsl_array[:] + delta_hsl_array[:]
#overlaparray[l,:] = temp_overlap
# Calculate reaction force at right end
b = assemble(Ftotal,form_compiler_parameters={"representation":"uflacs"})
bcleft.apply(b)
bcfix_y.apply(b)
bcfix_z.apply(b)
bcfix_y_right.apply(b)
bcfix_z_right.apply(b)
f_int_total = b.copy()
for kk in x_dofs:
fx_rxn[l] += f_int_total[kk]
#bcleft.apply(f_int_total)
#FX = 0
#for kk in x_dofs:
# FX += f_int_total[i]
#fx_rxn[l] = Fx
np.save(output_path + "fx",fx_rxn)
if t <= 5:
u_D.u_D += .14
else:
u_D.u_D = u_D.u_D
#print(cb_f_array)
"""if t <= 100: # stretch to 1300
u_D.u_D += .003
if t < 500 and t > 100:
u_D.u_D =u_D.u_D
if t < 600 and t >= 500:
u_D.u_D += .0005
if t < 800 and t >=600:
u_D.u_D = u_D.u_D
if t < 900 and t >= 800:
u_D.u_D -= .0005
if t >= 900:
u_D.u_D = u_D.u_D"""
"""if t < 170 and t > 150:
u_D.u_D -= 0.005
else:
u_D.u_D = u_D.u_D"""
"""if t < 5:
u_D.u_D += 0.03
else:
u_D.u_D = u_D.u_D"""
t = t + step_size
#calarray.append(hs.Ca_conc*np.ones(no_of_int_points))
#calcium[] = hs.Ca_conc*
if save_output:
active_stress_ds.iloc[0,:] = cb_f_array[:]
active_stress_ds.to_csv(output_path + 'active_stress.csv',mode='a',header=False)
#active_stress_ds = active_stress_ds.transpose()
#hsl_array_ds.iloc[0,:] = hsl_array[:]
#hsl_array_ds.to_csv(output_path + 'half_sarcomere_lengths.csv',mode='a',header=False)
calcium_ds.iloc[0,:] = calcium[l]
calcium_ds.to_csv(output_path + 'calcium.csv',mode='a',header=False)
#for i in range(no_of_int_points):
# dumped_populations_ds.iloc[i,:] = dumped_populations[i,:]
#dumped_populations_ds.to_csv(output_path + 'populations.csv',mode='a',header=False)
tarray_ds[l] = tarray[l]
tarray_ds.to_csv(output_path + 'time.csv',mode='a',header=False)
#p_f_array_ds.iloc[0,:] = p_f_array[:]
#p_f_array_ds.to_csv(output_path + 'myofiber_passive.csv',mode='a',header=False)
#pgf_array_ds.iloc[0,:] = pgf_array[:]
#pgf_array_ds.to_csv(output_path + 'gucc_fiber_pstress.csv',mode='a',header=False)
#pgt_array_ds.iloc[0,:] = pgt_array[:]
#pgt_array_ds.to_csv(output_path + 'gucc_trans_pstress.csv',mode='a',header=False)
#pgs_array_ds.iloc[0,:] = pgs_array[:]
#pgs_array_ds.to_csv(output_path + 'gucc_shear_pstress.csv',mode='a',header=False)
#temp_overlap_ds.iloc[0,:] = temp_overlap[:]
#temp_overlap_ds.to_csv(output_path + 'overlap.csv',mode='a',header=False)
#alpha_array_ds.iloc[0,:] = alpha_array[:]
#alpha_array_ds.to_csv(output_path + 'alpha.csv',mode='a',header=False)
#delta_hsl_array_ds.iloc[0,:] = delta_hsl_array[:]
#delta_hsl_array_ds.to_csv(output_path + 'delta_hsl.csv',mode='a',header=False)
# Update Fiber orientation
#f0 = f0+step_size*(Cmat*f0-f0)/sqrt(inner(Cmat*f0-f0,Cmat*f0-f0))
#target_vec = Cmat*f0
#print target_vec.type()
#target_diff = target_vec - f0
#target_diff = target_diff/sqrt(inner(target_diff,target_diff))
#f0 = f0 + step_size*target_diff
#File(output_path + "fiber_" +str(t)+ ".pvd") << project(f0, VectorFunctionSpace(mesh, "CG", 1))
"""for m in range(no_of_int_points):
for k in range(n_array_length):
dumped_populations[l, m, k] = y_vec_array[m * n_array_length + k]"""
rate_constants = np.zeros((no_of_x_bins,no_of_transitions + 1))
#for l in range(no_of_x_bins):
# for m in range(no_of_transitions + 1):
# rate_constants[l,m] = Myosim.dump_rate_constants(l, m, 0)
fluxes, rates = implement.return_rates_fenics(hs)
#np.save("/home/fenics/shared/python_dev/test_10_pm/rates",rates)
#np.save("/home/fenics/shared/python_dev/test_10_pm/dumped_populations",dumped_populations)
#np.save("/home/fenics/shared/python_dev/test_10_pm/tarray",tarray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/stress_array",strarray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/pstress_array",p_f)
#np.save("/home/fenics/shared/python_dev/test_10_pm/calcium",calarray)
#np.save("/home/fenics/shared/test_10/displacements",darray)
#np.save("/home/fenics/shared/python_dev/test_10_pm/HSL",hslarray)
#np.save("/home/fenics/shared/test_10/DHSL",delta_hsls)
"""outputs = {
"rates": rates,
"dumped_populations": dumped_populations,
"tarray": tarray,
"strarray": strarray,
"pstrarray": pstrarray,
"alphaarray": darray,
"calarray": calarray,
"hsl": hslarray,
#"overlap": overlaparray
}"""
outputs = {}
"""np.save(output_path +"dumped_populations", dumped_populations)
np.save(output_path + "tarray", tarray)
np.save(output_path + "stress_array", strarray)
np.save(output_path + "hsl", hslarray)
np.save(output_path + "overlap", overlaparray)
np.save(output_path + "pstress_array",pstrarray)
np.save(output_path + "j3",j3_fluxes)
np.save(output_path + "j4",j4_fluxes)
#np.save(output_path + "alpha_array",alphaarray)
np.save(output_path + "calcium",calarray)"""
fdataCa.close()
return(outputs)
arrays_and_values["temp_overlap"] = np.zeros((no_of_int_points))
arrays_and_values["y_vec_array_new"] = np.zeros(
((no_of_int_points) * n_array_length))
arrays_and_values["j3_fluxes"] = np.zeros((no_of_int_points, no_of_time_steps))
arrays_and_values["j4_fluxes"] = np.zeros((no_of_int_points, no_of_time_steps))
arrays_and_values["j7_fluxes"] = np.zeros((no_of_int_points, no_of_time_steps))
arrays_and_values["y_interp"] = np.zeros((no_of_int_points) * n_array_length)
arrays_and_values["calcium"] = np.zeros(no_of_time_steps)
arrays_and_values["delta_hsl_array"] = np.zeros(no_of_int_points)
# Initialize calcium object (eventually)
# Initialize cell ion module
cell_ion_params = input_parameters["electrophys_parameters"][
"cell_ion_parameters"]
cell_ion = cell_ion_driver.cell_ion_driver(cell_ion_params, sim_state.timestep,
sim_state.sim_duration)
# Initialize calcium concentration from cell_ion module
arrays_and_values["calcium"][0] = cell_ion.calculate_concentrations(
sim_state.timestep, 0, 0)
# Initialize windkessel
# Going to save pressure and volume of LV
Pcav_array = np.zeros(no_of_time_steps)
LVcav_array = np.zeros(no_of_time_steps)
windkessel_params = sim_state.wk_params
circ_system = CirculatorySystem.CirculatorySystem(windkessel_params)
# solution function
w = functions["w"]