def writeReac(modelpath, f):
reacList = wildcardFind(modelpath + '/##[ISA=ReacBase]')
for reac in reacList:
color = "blue"
textcolor = "red"
kf = reac.numKf
kb = reac.numKb
xr = cord[reac]['x']
yr = cord[reac]['y']
x = ((xr - xmin) / (xmax - xmin)) * multi
y = ((yr - ymin) / (ymax - ymin)) * multi
#y = ((ymax-yr)/(ymax-ymin))*multi
rinfo = reac.path + '/info'
if exists(rinfo):
color = Annotator(rinfo).getField('color')
color = getColorCheck(color, GENESIS_COLOR_SEQUENCE)
textcolor = Annotator(rinfo).getField('textColor')
textcolor = getColorCheck(textcolor, GENESIS_COLOR_SEQUENCE)
f.write("simundump kreac /kinetics/" + trimPath(reac) + " " + str(0) +
" " + str(kf) + " " + str(kb) + " \"\" " + str(color) + " " +
str(textcolor) + " " + str(int(x)) + " " + str(int(y)) +
" 0\n")
return reacList
def writeEnz(modelpath, f):
enzList = wildcardFind(modelpath + '/##[ISA=EnzBase]')
for enz in enzList:
x = random.randrange(0, 10)
y = random.randrange(0, 10)
textcolor = "green"
color = "red"
k1 = 0
k2 = 0
k3 = 0
nInit = 0
concInit = 0
n = 0
conc = 0
enzParent = enz.parent
if (isinstance(enzParent.className, Pool)) or (isinstance(
enzParent.className, ZombiePool)):
print(" raise exception enz doesn't have pool as parent")
return False
else:
vol = enzParent.volume * NA * 1e-3
isMichaelisMenten = 0
enzClass = enz.className
if (enzClass == "ZombieMMenz" or enzClass == "MMenz"):
k1 = enz.numKm
k3 = enz.kcat
k2 = 4.0 * k3
k1 = (k2 + k3) / k1
isMichaelisMenten = 1
elif (enzClass == "ZombieEnz" or enzClass == "Enz"):
k1 = enz.k1
k2 = enz.k2
k3 = enz.k3
cplx = enz.neighbors['cplx'][0]
nInit = cplx.nInit[0]
xe = cord[enz]['x']
ye = cord[enz]['y']
x = ((xe - xmin) / (xmax - xmin)) * multi
y = ((ye - ymin) / (ymax - ymin)) * multi
#y = ((ymax-ye)/(ymax-ymin))*multi
einfo = enz.path + '/info'
if exists(einfo):
color = Annotator(einfo).getField('color')
color = getColorCheck(color, GENESIS_COLOR_SEQUENCE)
textcolor = Annotator(einfo).getField('textColor')
textcolor = getColorCheck(textcolor, GENESIS_COLOR_SEQUENCE)
f.write("simundump kenz /kinetics/" + trimPath(enz) + " " +
str(0) + " " + str(concInit) + " " + str(conc) + " " +
str(nInit) + " " + str(n) + " " + str(vol) + " " +
str(k1) + " " + str(k2) + " " + str(k3) + " " + str(0) +
" " + str(isMichaelisMenten) + " " + "\"\"" + " " +
str(color) + " " + str(textcolor) + " \"\"" + " " +
str(int(x)) + " " + str(int(y)) + " " + str(0) + "\n")
return enzList
def writeplot(tgraphs, f):
if tgraphs:
for graphs in tgraphs:
slash = graphs.path.find('graphs')
if not slash > -1:
slash = graphs.path.find('graph_0')
if slash > -1:
conc = graphs.path.find('conc')
if conc > -1:
tabPath = "/" + graphs.path[slash:len(graphs.path)]
else:
slash1 = graphs.path.find('/', slash)
tabPath = "/graphs/conc1" + graphs.path[slash1:len(graphs.
path)]
if len(element(graphs).msgOut):
poolPath = (element(graphs).msgOut)[0].e2.path
poolEle = element(poolPath)
poolAnno = (poolEle.path + '/info')
fg = Annotator(poolAnno).textColor
fg = getColorCheck(fg, GENESIS_COLOR_SEQUENCE)
tabPath = re.sub("\[[0-9]+\]", "", tabPath)
f.write("simundump xplot " + tabPath + " 3 524288 \\\n" +
"\"delete_plot.w <s> <d>; edit_plot.D <w>\" " +
fg + " 0 0 1\n")
def storePlotMsgs(tgraphs, f):
s = ""
if tgraphs:
for graph in tgraphs:
slash = graph.path.find('graphs')
if not slash > -1:
slash = graph.path.find('graph_0')
if slash > -1:
conc = graph.path.find('conc')
if conc > -1:
tabPath = graph.path[slash:len(graph.path)]
else:
slash1 = graph.path.find('/', slash)
tabPath = "/graphs/conc1" + graph.path[slash1:len(graph.
path)]
if len(element(graph).msgOut):
poolPath = (element(graph).msgOut)[0].e2.path
poolEle = element(poolPath)
poolName = poolEle.name
bgPath = (poolEle.path + '/info')
bg = Annotator(bgPath).color
bg = getColorCheck(bg, GENESIS_COLOR_SEQUENCE)
tabPath = re.sub("\[[0-9]+\]", "", tabPath)
s = s+"addmsg /kinetics/" + trimPath( poolEle ) + " " + tabPath + \
" PLOT Co *" + poolName + " *" + bg +"\n"
f.write(s)
def getColor(iteminfo):
""" Getting a textcolor and background color for the given mooseObject \
If textcolor is empty replaced with green \
background color is empty replaced with blue
if textcolor and background is same as it happend in kkit files \
replacing textcolor with random color\
The colors are not valid there are siliently replaced with some values \
but while model building can raise an exception
"""
textcolor = Annotator(iteminfo).getField('textColor')
bgcolor = Annotator(iteminfo).getField('color')
if (textcolor == ''): textcolor = 'green'
if (bgcolor == ''): bgcolor = 'blue'
if (textcolor == bgcolor): textcolor = getRandColor()
textcolor = colorCheck(textcolor, "fc")
bgcolor = colorCheck(bgcolor, "bg")
return (textcolor, bgcolor)
def writeNotes(modelpath, f):
notes = ""
items = []
items = wildcardFind(modelpath+"/##[ISA=ChemCompt]") +\
wildcardFind(modelpath+"/##[ISA=PoolBase]") +\
wildcardFind(modelpath+"/##[ISA=ReacBase]") +\
wildcardFind(modelpath+"/##[ISA=EnzBase]") +\
wildcardFind(modelpath+"/##[ISA=Function]") +\
wildcardFind(modelpath+"/##[ISA=StimulusTable]")
for item in items:
if exists(item.path + '/info'):
info = item.path + '/info'
notes = Annotator(info).getField('notes')
if (notes):
f.write("call /kinetics/" + trimPath(item) +
"/notes LOAD \ \n\"" +
Annotator(info).getField('notes') + "\"\n")
def writePool(modelpath, f, volIndex):
for p in wildcardFind(modelpath + '/##[ISA=PoolBase]'):
slave_enable = 0
if (p.className == "BufPool" or p.className == "ZombieBufPool"):
pool_children = p.children
if pool_children == 0:
slave_enable = 4
else:
for pchild in pool_children:
if not (pchild.className == "ZombieFunction") and not (
pchild.className == "Function"):
slave_enable = 4
else:
slave_enable = 0
break
#Eliminated enzyme complex pool
if ((p.parent).className != "Enz"
and (p.parent).className != "ZombieEnz"):
xp = cord[p]['x']
yp = cord[p]['y']
x = ((xp - xmin) / (xmax - xmin)) * multi
y = ((yp - ymin) / (ymax - ymin)) * multi
#y = ((ymax-yp)/(ymax-ymin))*multi
pinfo = p.path + '/info'
if exists(pinfo):
color = Annotator(pinfo).getField('color')
color = getColorCheck(color, GENESIS_COLOR_SEQUENCE)
textcolor = Annotator(pinfo).getField('textColor')
textcolor = getColorCheck(textcolor, GENESIS_COLOR_SEQUENCE)
geometryName = volIndex[p.volume]
volume = p.volume * NA * 1e-3
f.write("simundump kpool /kinetics/" + trimPath(p) + " 0 " +
str(p.diffConst) + " " + str(0) + " " + str(0) + " " +
str(0) + " " + str(p.nInit) + " " + str(0) + " " + str(0) +
" " + str(volume) + " " + str(slave_enable) +
" /kinetics" + geometryName + " " + str(color) + " " +
str(textcolor) + " " + str(int(x)) + " " + str(int(y)) +
" " + str(0) + "\n")
def autoCoordinates(meshEntry, srcdesConnection):
G = nx.Graph()
for cmpt, memb in meshEntry.items():
if memb in ["enzyme"]:
for enzObj in find_index(memb, 'enzyme'):
#G.add_node(enzObj.path)
G.add_node(enzObj.path,
label='',
shape='ellipse',
color='',
style='filled',
fontname='Helvetica',
fontsize=12,
fontcolor='blue')
for cmpt, memb in meshEntry.items():
#if memb.has_key
if memb in ["pool", "cplx", "reaction"]:
for poolObj in find_index(memb, 'pool'):
#G.add_node(poolObj.path)
G.add_node(poolObj.path,
label=poolObj.name,
shape='box',
color='',
style='filled',
fontname='Helvetica',
fontsize=9,
fontcolor='blue')
for cplxObj in find_index(memb, 'cplx'):
G.add_node(cplxObj.path)
G.add_node(cplxObj.path,
label=cplxObj.name,
shape='box',
color='',
style='filled',
fontname='Helvetica',
fontsize=12,
fontcolor='blue')
#G.add_edge((cplxObj.parent).path,cplxObj.path)
for reaObj in find_index(memb, 'reaction'):
#G.add_node(reaObj.path)
G.add_node(reaObj.path, label='', shape='circle', color='')
for inn, out in srcdesConnection.items():
if (inn.className == 'ZombieReac'): arrowcolor = 'green'
elif (inn.className == 'ZombieEnz'): arrowcolor = 'red'
else: arrowcolor = 'blue'
if isinstance(out, tuple):
if len(out[0]) == 0:
print(inn.className + ':' + inn.name +
" doesn't have input message")
else:
for items in (items for items in out[0]):
G.add_edge(element(items[0]).path, inn.path)
if len(out[1]) == 0:
print(inn.className + ':' + inn.name +
"doesn't have output mssg")
else:
for items in (items for items in out[1]):
G.add_edge(inn.path, element(items[0]).path)
elif isinstance(out, list):
if len(out) == 0:
print("Func pool doesn't have sumtotal")
else:
for items in (items for items in out):
G.add_edge(element(items[0]).path, inn.path)
position = graphviz_layout(G)
xcord, ycord = [], []
for item in position.items():
xy = item[1]
xroundoff = round(xy[0], 0)
yroundoff = round(xy[1], 0)
xcord.append(xroundoff)
ycord.append(yroundoff)
xmin = min(xcord)
xmax = max(xcord)
ymin = min(ycord)
ymax = max(ycord)
for item in position.items():
xy = item[1]
anno = Annotator(item[0] + '/info')
Ax = (xy[0] - xmin) / (xmax - xmin)
Ay = (xy[1] - ymin) / (ymax - ymin)
#anno.x = round(Ax,1)
#anno.y = round(Ay,1)
#not roundingoff to max and min the co-ordinates for bigger model would overlay the co-ordinates
anno.x = xy[0]
anno.y = xy[1]
def setupMeshObj(modelRoot):
''' Setup compartment and its members pool,reaction,enz cplx under self.meshEntry dictionaries \
self.meshEntry with "key" as compartment,
value is key2:list where key2 represents moose object type,list of objects of a perticular type
e.g self.meshEntry[meshEnt] = { 'reaction': reaction_list,'enzyme':enzyme_list,'pool':poollist,'cplx': cplxlist }
'''
xmin = 0.0
xmax = 1.0
ymin = 0.0
ymax = 1.0
positionInfoExist = True
meshEntry = {}
if meshEntry:
meshEntry.clear()
else:
meshEntry = {}
xcord = []
ycord = []
n = 1
objPar = collections.OrderedDict()
for compt in wildcardFind(modelRoot + '/##[ISA=ChemCompt]'):
groupColor = []
try:
value = meshEntry[element(compt)]
except KeyError:
# Compt is not present
meshEntry[element(compt)] = {}
objPar[element(compt)] = element('/')
for grp in wildcardFind(compt.path + '/##[TYPE=Neutral]'):
test = [
x for x in wildcardFind(element(grp).path + '/#')
if x.className in ["Pool", "Reac", "Enz"]
]
#if len(test) >1:
grpinfo = Annotator(element(grp).path + '/info')
validatecolor = colorCheck(grpinfo.color, "bg")
validatedgrpcolor = str(QColor(validatecolor).name())
groupColor.append(validatedgrpcolor)
grp_cmpt = findGroup_compt(grp.parent)
try:
value = meshEntry[element(grp)]
except KeyError:
# Grp is not present
meshEntry[element(grp)] = {}
objPar[element(grp)] = element(grp_cmpt)
# if n > 1:
# validatecolor = colorCheck(grpinfo.color,"bg")
# validatedgrpcolor = str(QColor(validatecolor).name())
# if validatedgrpcolor in groupColor:
# print " inside "
# c = getRandColor()
# print " c ",c, c.name()
# grpinfo.color = str(c.name())
# groupColor.append(str(c.name()))
# print " groupColor ",grpinfo,grpinfo.color, groupColor
# n =n +1
for compt in wildcardFind(modelRoot + '/##[ISA=ChemCompt]'):
for m in wildcardFind(compt.path + '/##[ISA=PoolBase]'):
grp_cmpt = findGroup_compt(m)
xcord.append(xyPosition(m.path + '/info', 'x'))
ycord.append(xyPosition(m.path + '/info', 'y'))
if isinstance(element(grp_cmpt), Neutral):
if isinstance(element(m.parent), EnzBase):
populateMeshEntry(meshEntry, grp_cmpt, "cplx", m)
else:
populateMeshEntry(meshEntry, grp_cmpt, "pool", m)
else:
if isinstance(element(m.parent), EnzBase):
populateMeshEntry(meshEntry, compt, "cplx", m)
else:
populateMeshEntry(meshEntry, compt, "pool", m)
for r in wildcardFind(compt.path + '/##[ISA=ReacBase]'):
rgrp_cmpt = findGroup_compt(r)
xcord.append(xyPosition(r.path + '/info', 'x'))
ycord.append(xyPosition(r.path + '/info', 'y'))
if isinstance(element(rgrp_cmpt), Neutral):
populateMeshEntry(meshEntry, rgrp_cmpt, "reaction", r)
else:
populateMeshEntry(meshEntry, compt, "reaction", r)
for e in wildcardFind(compt.path + '/##[ISA=EnzBase]'):
egrp_cmpt = findGroup_compt(e)
xcord.append(xyPosition(e.path + '/info', 'x'))
ycord.append(xyPosition(e.path + '/info', 'y'))
if isinstance(element(egrp_cmpt), Neutral):
populateMeshEntry(meshEntry, egrp_cmpt, "enzyme", e)
else:
populateMeshEntry(meshEntry, compt, "enzyme", e)
for f in wildcardFind(compt.path + '/##[ISA=Function]'):
fgrp_cmpt = findGroup_compt(f)
if isinstance(element(fgrp_cmpt), Neutral):
populateMeshEntry(meshEntry, fgrp_cmpt, "function", f)
else:
populateMeshEntry(meshEntry, compt, "function", f)
for t in wildcardFind(compt.path + '/##[ISA=StimulusTable]'):
tgrp_cmpt = findGroup_compt(t)
xcord.append(xyPosition(t.path + '/info', 'x'))
ycord.append(xyPosition(t.path + '/info', 'y'))
if isinstance(element(tgrp_cmpt), Neutral):
populateMeshEntry(meshEntry, tgrp_cmpt, "stimTab", t)
else:
populateMeshEntry(meshEntry, compt, "stimTab", t)
xmin = min(xcord)
xmax = max(xcord)
ymin = min(ycord)
ymax = max(ycord)
positionInfoExist = not (len(np.nonzero(xcord)[0]) == 0
and len(np.nonzero(ycord)[0]) == 0)
return (objPar, meshEntry, xmin, xmax, ymin, ymax, positionInfoExist)
