Python wrapper for running instances of trisurf-ng
Samo Penic
2019-08-15 d5ddc0a56d9f52f27fb6edcc2fa1caf66fdb9eb0
trisurf/wrapper.py
@@ -82,10 +82,11 @@
      ('znorm', c_double),
      ('area', c_double),
      ('volume', c_double),
      ('energy', c_double),
   ]
class ts_triangle_list(Structure):
   _fields_=[('n',c_uint),('tria', POINTER(POINTER(ts_triangle)))]
   _fields_=[('n',c_uint),('a0',c_double),('tria', POINTER(POINTER(ts_triangle))),]
ts_cell._fields_=[
@@ -145,6 +146,8 @@
      ('pswitch',c_long),
      ('constvolswitch',c_long),
      ('constareaswitch',c_long),
      ('stretchswitch',c_long),
      ('xkA0',c_double),
      ('constvolprecision',c_double),
      ('multiprocessing',c_char_p),
      ('brezveze0',c_long),
@@ -199,5 +202,131 @@
ts_cluster._fields_=[('nvtx',c_uint),('idx',c_uint),('vtx', POINTER(POINTER(ts_vertex)))]
class ts_cluster_list(Structure):
   _fields_=[('n',c_uint),('poly',POINTER(POINTER(ts_cluster)))]
   _fields_=[('n',c_uint),('cluster',POINTER(POINTER(ts_cluster)))]
ts=CDLL('libtrisurf.so')
#function call wrappers
def create_vesicle_from_tape(tape):
   """Using pointer for tape, it creates a vesicle, returning pointer to it."""
   ts.create_vesicle_from_tape.argtypes=POINTER(ts_tape)
   ts.create_vesicle_from_tape.restype=POINTER(ts_vesicle)
   return ts.create_vesicle_from_tape(tape)
def parsetape(filename='tape'):
   """Loads tape with  filename (if not given it defaults to 'tape'). It returns a pointer to structure for tape"""
   ts.parsetape.restype=POINTER(ts_tape)
   ts.parsetape.argtypes=[c_char_p]
   return ts.parsetape(filename.encode('ascii'))
def parseDump(filename):
   """Loads a vtu file with 'filename' and creates a vesicle returning pointer to it"""
   ts.parseDump.argtypes=[c_char_p]
   ts.parseDump.restype=POINTER(ts_vesicle)
   vesicle=ts.parseDump(filename.encode('ascii'))
   return vesicle
def single_timestep(vesicle):
   """Makes a single timestep in simulations. Returns a tuple of vmsrt and bfrt (vertex move success rate and bond flip success rate)"""
   ts.single_timestep.argtypes=[POINTER(ts_vesicle),POINTER(c_double),POINTER(c_double)]
   vmsrt=c_double(0.0)
   bfsrt=c_double(0.0)
   ts.single_timestep(vesicle,byref(vmsrt),byref(bfsrt))
   return (vmsrt.value, bfsrt.value)
def write_vertex_xml_file(vesicle,timestep_no=0):
   """Writes a vesicle into file with filename 'timestep_XXXXXX.vtu', where XXXXXX is a leading zeroed number given with timestep_no parameter (defaults to 0 if not given"""
   ts.write_vertex_xml_file.argtypess=[POINTER(ts_vesicle),c_int]
   ts.write_vertex_xml_file(vesicle,c_int(timestep_no))
def vesicle_free(vesicle):
   """Free memory of the whole vesicle"""
   ts.vesicle_free.argtypes=[POINTER(ts_vesicle)]
   ts.vesicle_free(vesicle)
def vesicle_volume(vesicle):
   ts.vesicle_volume.argtypes=[POINTER(ts_vesicle)]
   ts.vesicle_volume(vesicle)
def vesicle_area(vesicle):
   ts.vesicle_area.argtypes=[POINTER(ts_vesicle)]
   ts.vesicle_area(vesicle)
def gyration_eigen(vesicle):
   ts.gyration_eigen.argtypes=[POINTER(ts_vesicle), POINTER(c_double), POINTER(c_double), POINTER(c_double)]
   l1=c_double(0.0)
   l2=c_double(0.0)
   l3=c_double(0.0)
   ts.gyration_eigen(vesicle , byref(l1), byref(l2), byref(l3))
   return (l1.value, l2.value, l3.value)
def vesicle_meancurvature(vesicle):
   ts.vesicle_meancurvature.argtypes=[POINTER(ts_vesicle)]
   ts.vesicle_meancurvature.restype=c_double
   return ts.vesicle_meancurvature(vesicle)
def init_cluster_list():
   ts.init_cluster_list.restype=POINTER(ts_cluster_list)
   ret=ts.init_cluster_list()
   return ret
def clusterize_vesicle(vesicle, cluster_list):
   ts.clusterize_vesicle.argtypes=[POINTER(ts_vesicle), POINTER(ts_cluster_list)]
   ts.clusterize_vesicle(vesicle, cluster_list)
def cluster_list_free(cluster_list):
   """Free memory of cluster list"""
   ts.cluster_list_free.argtypes=[POINTER(ts_cluster_list)]
   ts.cluster_list_free(cluster_list)
def stretchenergy(vesicle, triangle):
   ts.stretchenergy.argtypes=[POINTER(ts_vesicle), POINTER(ts_triangle)]
   ts.stretchenergy(vesicle,triangle)
def get_absolute_ulm2(vesicle,l,m):
   ts.get_absolute_ulm2.argtypes=[POINTER(ts_vesicle), c_double, c_double]
   ts.get_absolute_ulm2.restype=c_double
   ret=ts.get_absolute_ulm2(vesicle,l,m)
   return ret
def getR0(vesicle):
   ts.getR0.argtypes=[POINTER(ts_vesicle)]
   ts.getR0.restype=c_double
   r0=ts.getR0(vesicle)
   return r0
def preparationSh(vesicle,r0):
   ts.preparationSh.argtypes=[POINTER(ts_vesicle), c_double]
   ts.preparationSh(vesicle,r0)
def calculateUlmComplex(vesicle):
   ts.calculateUlmComplex.argtypes=[POINTER(ts_vesicle)]
   ts.calculateUlmComplex(vesicle)
def Ulm2Complex2String(vesicle):
   ts.Ulm2Complex2String.argtypes=[POINTER(ts_vesicle)]
   ts.Ulm2Complex2String.restype=c_char_p
   string=ts.Ulm2Complex2String(vesicle)
   return string
def freeUlm2String(string):
   ts.freeUlm2String.argtypes=[c_char_p]
   ts.freeUlm2String(string)
#This function seems not to exist!!!
#def solve_for_ulm2(vesicle):
#   ts.solve_for_ulm2.argtypes=[POINTER(ts_vesicle)]
#   ts.solve_for_ulm2(vesicle)
def mean_curvature_and_energy(vesicle):
   ts.mean_curvature_and_energy.argtypes=[POINTER(ts_vesicle)]
   ts.mean_curvature_and_energy(vesicle)