python/parse_vtu.py | ●●●●● patch | view | raw | blame | history | |
python/tape | ●●●●● patch | view | raw | blame | history | |
python/trisurf/.trisurf.py.swp | patch | view | raw | blame | history | |
python/trisurf/__module__.py | patch | view | raw | blame | history | |
python/trisurf/__pycache__/trisurf.cpython-34.pyc | patch | view | raw | blame | history | |
python/trisurf/trisurf.py | ●●●●● patch | view | raw | blame | history | |
python/tsmgr | ●●●●● patch | view | raw | blame | history |
python/parse_vtu.py
@@ -6,7 +6,13 @@ tree = ET.parse('../src/timestep_000000.vtu') root = tree.getroot() trisurf=root.find('trisurf') version=root.find('trisurfversion') print(version.text); print(trisurf.items()) xml=zlib.decompress(base64.b64decode(trisurf.text)) tree2=ET.ElementTree(ET.fromstring("<root>"+str(xml)[0:-1]+"</root>")) #xml=zlib.decompress(base64.b64decode(trisurf.text)) #xml=trisurf.text #print(xml) #tree2=ET.ElementTree(ET.fromstring(str(xml)) #tree2=ET.ElementTree(ET.fromstring("<root>"+str(xml)[0:-1]+"</root>")) python/tape
New file @@ -0,0 +1,80 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid nshell=5 # dmax is the max. bond length (in units l_min) dmax=1.7 # dmin_interspecies in the min. dist. between different vertex species (in units l_min) dmin_interspecies=1.2 # bending rigidity of the membrane (in units kT) xk0=10.0 # max step size (in units l_min) stepsize=0.15 # Pressure calculations # (pswitch=1: calc. p*dV energy contribution) pswitch = 0 # pressure difference: p_inside - p_outside (in units kT/l_min^3): pressure=0.0 #Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) constvolswitch=2 constvolprecision=1e-14 #Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) constareaswitch=2 ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle npoly=2 # nmono is a number of monomers in each polymer nmono=10 # Spring constant between monomers of the polymer k_spring=800 ####### Filament (inside the vesicle) definitions ########### # nfil is a number of filaments inside the vesicle nfil=0 # nfono is a number of monomers in each filament nfono=300 # Persistence lenght of the filaments (in units l_min) xi=0 ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle R_nucleus=0 ####### Cell definitions ############ nxmax=60 nymax=60 nzmax=60 ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk #200000 mcsweeps=20 #how many initial mcsweeps*inititer MC sweeps before recording to disk? #2 inititer=0 #how many records do you want on the disk iteration are there in a run? #10000 iterations=100 ###### Spherical harmonics ########### # If 0 then spherical harmonics are not calculated at all. spherical_harmonics_coefficients=21 #shut up if we are using cluster!!! quiet=false #what type of multiprocessing? (*none, smp, cluster, distributed, cuda, auto) #currently only none makes sense. multiprocessing=none #how many cores are allowed to process in SMP? smp_cores=2 #how many nodes in cluster? cluster_nodes=50 #max number of processes in distributed (voluntary) environment distributed_processes=50 #cuda options??? python/trisurf/.trisurf.py.swpBinary files differ
python/trisurf/__module__.py
python/trisurf/__pycache__/trisurf.cpython-34.pycBinary files differ
python/trisurf/trisurf.py
New file @@ -0,0 +1,73 @@ #!/usr/bin/python3 import configobj ''' This is a trisurf instance manager written in python Invoke with: tsmgr [-t tape | -r snapshot.vtu] [-s subdirectory] If tape is specified, the trisurf wilt start from tape with initial distribution, if snapshot is specified the trisurf will be restored from given snapshot file and simulation will continue. ''' class Tape: '''Has all the info on the tape''' def __init__(self): return def readTape(self, tape='tape'): try: self.config=configobj.ConfigObj(tape) except: print("Error reading or parsing tape file!\n") exit(1) def setTape(self, string): self.tape=string return def getValue(self,key): return self.config[key] class Runner: ''' Class Runner consists of a single running or terminated instance of the trisurf ''' def initFromTape(self, tape='tape'): self.tape=Tape() self.tape.readTape(tape) pass def initFromSnapshot(self, tape='snapshot.vtu'): pass def __init__(self, subdir='run0', tape='', snapshot=''): self.subdir=subdir if(tape!=''): self.initFromTape(tape) if(snapshot!=''): self.initFromSnapshot(snapshot) return def getStatus(self): pass def start(self): pass def stop(self): pass def __str__(self): return("Running instance") python/tsmgr
New file @@ -0,0 +1,9 @@ #!/usr/bin/python3 from trisurf import trisurf run1=trisurf.Runner(tape='tape') print(run1) print(run1.tape.getValue('nshell'))