From 7ad2b4ecf6d7b7319f1ee21e5bc150b224fd0e1f Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Thu, 24 May 2018 16:17:17 +0000
Subject: [PATCH] Change in data structure of trisurf-ng reflects here
---
trisurf/wrapper.py | 90 ++++++++++++++++++++++++++++++++++++++++++++-
1 files changed, 88 insertions(+), 2 deletions(-)
diff --git a/trisurf/wrapper.py b/trisurf/wrapper.py
index 66e4548..6418283 100644
--- a/trisurf/wrapper.py
+++ b/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),('tria', POINTER(POINTER(ts_triangle))),('a0',c_double)]
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 +202,88 @@
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.argtype=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.argtype=[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.argtype=[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.argtype=[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.argtypes=[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.argtype=[POINTER(ts_vesicle)]
+ ts.vesicle_free(vesicle)
+
+def vesicle_volume(vesicle):
+ ts.vesicle_volume.argtype=[POINTER(ts_vesicle)]
+ ts.vesicle_volume(vesicle)
+
+def vesicle_area(vesicle):
+ ts.vesicle_area.argtype=[POINTER(ts_vesicle)]
+ ts.vesicle_area(vesicle)
+
+def gyration_eigen(vesicle):
+ ts.gyration_eigen.argtype=[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.argtype=[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.argtype=[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.argtype=[POINTER(ts_cluster_list)]
+ ts.cluster_list_free(cluster_list)
+
+
+
--
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