S = max(1, int(N / N_res))
'''
dt = csh.dt
Ts = 1.#seconds
Ts = Ts/scale + 0.001
N_res = 1e+4
S = max(1,int(N/N_res))
'''
#%% run
#n=1000
it = time.time()
while csh.time <= Ts: #itr < nitr: #
csh.advance()
results = fn.append_results(csh, results, step=S)
simulation_time = time.time() - it
fn.print_time(simulation_time, csh)
#%%
fn.plot_species(results, names=[]) #['calcite']
fn.plot_avg(results, names=['avg_poros', 'avg_D_eff'])
fn.plot_fields(csh, names=['calcite'], fsize=(15, 1)) #,'Ca','Si'
fn.plot_points(results, names=['calcite', 'poros', 'Ca', 'pH'])
#%% plot ca/si against density
plt.figure()
plt.plot(results['Ca_Si'], results['csh_density'])
plt.legend()
plt.ylabel('CSH density')
plt.xlabel('C/S')
plt.show()
S = max(1,int(N/N_res))
'''
#%% run
#n=1000
it = time.time()
while csh.time <= Ts: #itr < nitr: #
csh.advance()
results = fn.append_results(csh, results, step=S)
simulation_time = time.time() - it
fn.print_time(simulation_time, csh)
#%%
fn.plot_species(results, names=[]) #['calcite']
fn.plot_avg(results, names=['avg_poros', 'avg_D_eff'])
fn.plot_fields(csh, names=['calcite'], fsize=(15, 1)) #,'Ca','Si'
fn.plot_points(results, names=['calcite', 'poros', 'Ca', 'pH'])
#%% plot ca/si against density
plt.figure()
plt.plot(results['Ca_Si'], results['csh_density'])
plt.legend()
plt.ylabel('CSH density')
plt.xlabel('C/S')
plt.show()
#%% SAVE
if (True):
fn.save_obj(results, path + str(nn) + '_results')
np.save(path + 'SI', csh.phrqc.selected_output()['SI_calcite'])
np.save(path + 'pH', csh.phrqc.selected_output()['pH'])
#%% SAVE
if(False):
fn.save_obj(results, path + str(nn) +'_results')
np.save(path + 'SI', carb_rt.phrqc.selected_output()['SI_calcite'] )
np.save(path + 'pH', carb_rt.phrqc.selected_output()['pH'] )
np.save(path + 'Ca', carb_rt.phrqc.selected_output()['Ca'] )
np.save(path + 'C', carb_rt.phrqc.selected_output()['C'] )
np.save(path + 'De', carb_rt.fluid.Ca.De )
np.save(path + 'poros', carb_rt.fluid.Ca.poros)
#%% PLOT
if(True):
fn.plot_species(results, names=[])#['calcite']
fn.plot_avg(results, names=['avg_poros', 'avg_D_eff'])
fn.plot_points(results, names=['calcite', 'portlandite', 'poros', 'Ca', 'C'])
fn.plot_fields(carb_rt, names=['calcite', 'portlandite', 'Ca', 'C', 'poros'],fsize=(15,1))
#%% PRINT
if(True):
print('Ca +ss %s' %str(np.array(carb_rt.fluid.Ca.c[1,:]) + np.array(carb_rt.fluid.Ca._ss[1,:])/np.array(carb_rt.phrqc.poros[1,:])))
print('C +ss %s' %str(np.array(carb_rt.fluid.C.c[1,:]) + np.array(carb_rt.fluid.C._ss[1,:])/np.array(carb_rt.phrqc.poros[1,:])))
print('H +ss %s' %str(np.array(carb_rt.fluid.H.c[1,:]) + np.array(carb_rt.fluid.H._ss[1,:])/np.array(carb_rt.phrqc.poros[1,:])))
print('O +ss %s' %str(np.array(carb_rt.fluid.O.c[1,:]) + np.array(carb_rt.fluid.O._ss[1,:])/np.array(carb_rt.phrqc.poros[1,:])))
print('CH %s' %str(np.array(carb_rt.solid.portlandite.c[1,:])))
print('dCH %s' %str(np.array(carb_rt.phrqc.dphases['portlandite'][1,:])))
print('CC %s' %str(np.array(carb_rt.solid.calcite.c[1,:])))
print('dCC %s' %str(np.array(carb_rt.phrqc.dphases['calcite'][1,:])))
print('Vol %s' %str(np.array(carb_rt.solid.vol[1,:])))
print('D %s' %str(np.array(carb_rt.fluid.C.De[1,:])))
print('SI %s' %str(np.array(carb_rt.solid.target_SI[1,:])))
print('pH %s' %str(np.array(carb_rt.phrqc.selected_output()['pH'][1,:])))
simulation_time = time.time() - it
fn.print_time(simulation_time, carb_rt)
#%% SAVE
fn.save_obj(results, path + str(nn) + '_results')
np.save(path + 'SI', carb_rt.phrqc.selected_output()['SI_calcite'])
np.save(path + 'pH', carb_rt.phrqc.selected_output()['pH'])
np.save(path + 'Ca', carb_rt.phrqc.selected_output()['Ca'])
np.save(path + 'C', carb_rt.phrqc.selected_output()['C'])
np.save(path + 'De', carb_rt.fluid.Ca.De)
np.save(path + 'poros', carb_rt.fluid.Ca.poros)
#%% PLOT
fn.plot_species(results,
names=['calcite', 'portlandite', 'Ca', 'C'],
fsize=(6, 4))
fn.plot_fields(carb_rt, names={'calcite', 'portlandite', 'Ca', 'C'})
#%%PRINT
#print(carb_rt.fluid.Ca.De)
#print(carb_rt.fluid.C.De)
#print(carb_rt.fluid.Ca._c+carb_rt.fluid.Ca._ss)
#print(carb_rt.fluid.C._c+carb_rt.fluid.C._ss)
#print(carb_rt.solid.portlandite.c)
#print(carb_rt.solid.calcite.c)
#print(carb_rt.solid.poros)
#%%
'''
from copy import deepcopy