Python wrapper for running instances of trisurf-ng
Samo Penic
2017-09-17 83999e3246b2a977f79332ceae3449922d2dae95
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from ctypes import *
 
TS_SUCCESS=0
TS_FAIL=1
 
TS_ID_FILAMENT=1
 
TS_COORD_CARTESIAN=0
TS_COORD_SPHERICAL=1
TS_COORD_CYLINDRICAL=2
 
 
class ts_coord(Structure):
    _fields_=[
        ("e1", c_double),
        ("e2", c_double),
        ("e3", c_double),
        ("coord_type", c_uint)
        ]
class ts_vertex(Structure):
    pass
class ts_bond(Structure):
    pass
class ts_triangle(Structure):
    pass
class ts_cell(Structure):
    pass
class ts_poly(Structure):
    pass
class ts_cluster(Structure):
    pass
ts_vertex._fields_=[
        ('idx',c_uint),
        ('x',c_double),
        ('y',c_double),
        ('z',c_double),
        ('neigh_no',c_uint),
        ('neigh', POINTER(POINTER(ts_vertex))),
        ('bond_length', POINTER(c_double)),
        ('bond_length_dual',POINTER(c_double)),
        ('curvature', c_double),
        ('energy', c_double),
        ('energy_h',c_double),
        ('tristar_no', c_uint),
        ('tristar', POINTER(POINTER(ts_triangle))),
        ('bond_no',c_uint),
        ('bond',POINTER(POINTER(ts_bond))),
        ('cell',POINTER(ts_cell)),
        ('xk',c_double),
        ('c',c_double),
        ('id', c_uint),
        ('projArea',c_double),
        ('relR', c_double),
        ('solAngle', c_double),
        ('grafted_poly', POINTER(ts_poly)),
        ('cluster',POINTER(ts_cluster)),
        ]
class ts_vertex_list(Structure):
    _fields_=[('n',c_uint), ('vtx',POINTER(POINTER(ts_vertex)))]
 
ts_bond._fields_=[('idx',c_uint),
        ('vtx1', POINTER(ts_vertex)),
        ('vtx2', POINTER(ts_vertex)),
        ('bond_length',c_double),
        ('bond_length_dual',c_double),
        ('tainted', c_char),
        ('energy',c_double),
        ('x',c_double),
        ('y',c_double),
        ('z',c_double),
    ]
class ts_bond_list(Structure):
    _fields_=[('n', c_uint),('bond',POINTER(POINTER(ts_bond)))]
 
ts_triangle._fields_=[
        ('idx',c_uint),
        ('vertex', POINTER(ts_vertex)*3),
        ('neigh_no',c_uint),
        ('neigh', POINTER(POINTER(ts_triangle))),
        ('xnorm', c_double),
        ('ynorm', c_double),
        ('znorm', c_double),
        ('area', c_double),
        ('volume', c_double),
    ]
 
class ts_triangle_list(Structure):
    _fields_=[('n',c_uint),('tria', POINTER(POINTER(ts_triangle)))]
 
 
ts_cell._fields_=[
    ('idx', c_uint),
    ('vertex', POINTER(POINTER(ts_vertex))),
    ('nvertex', c_uint),
    ]        
 
class ts_cell_list(Structure):
    _fields_=[
        ('ncmax', c_uint*3),
        ('cellno', c_uint),
        ('cell',POINTER(POINTER(ts_cell))),
        ('dcell', c_double),
        ('shift', c_double),
        ('max_occupancy', c_double),
        ('dmin_interspecies', c_double)
    ]
 
class ts_spharm(Structure):
    _fields_=[
        ('l',c_uint),
        ('ulm', POINTER(POINTER(c_double))),
    #    ('ulmComplex', POINTER(POINTER(gsl_complex))), #poisci!!!!
        ('ulmComplex', POINTER(POINTER(c_double))), #temporary solution
        ('sumUlm2', POINTER(POINTER(c_double))),
        ('N', c_uint),
        ('co',POINTER(POINTER(c_double))),
        ('Ylmi', POINTER(POINTER(c_double))),
        ]
 
ts_poly._fields_=[
        ('vlist', POINTER(ts_vertex_list)),
        ('blist', POINTER(ts_bond_list)),
        ('grafted_vtx',POINTER(ts_vertex)),
        ('k', c_double),
    ]
 
class ts_poly_list(Structure):
    _fields_=[('n',c_uint),('poly',POINTER(POINTER(ts_poly)))]
 
class ts_tape(Structure):
    _fields_=[
        ('nshell',c_long),
        ('ncxmax',c_long),
        ('ncymax',c_long),
        ('nczmax',c_long),
        ('npoly',c_long),
        ('nmono',c_long),
        ('internal_poly',c_long),
        ('nfil',c_long),
        ('nfono', c_long),
        ('R_nucleus',c_long),
        ('R_nucleusX',c_double),
        ('R_nucleusY',c_double),
        ('R_nucleusZ',c_double),
        ('pswitch',c_long),
        ('constvolswitch',c_long),
        ('constareaswitch',c_long),
        ('constvolprecision',c_double),
        ('multiprocessing',c_char_p),
        ('brezveze0',c_long),
        ('brezveze1',c_long),
        ('brezveze2',c_long),
        ('xk0',c_double),
        ('dmax',c_double),
        ('dmin_interspecies',c_double),
        ('stepsize',c_double),
        ('kspring',c_double),
        ('xi',c_double),
        ('pressure',c_double),
        ('iterations',c_long),
        ('inititer',c_long),
        ('mcsweeps',c_long),
        ('quiet',c_long),
        ('shc',c_long),
        ('number_of_vertice_with_c0',c_long),
        ('c0', c_double),
        ('w', c_double),
        ('F', c_double),
    ]
        
 
class ts_vesicle(Structure):
    _fields_=[
        ('vlist', POINTER(ts_vertex_list)),
        ('blist', POINTER(ts_bond_list)),
        ('tlist', POINTER(ts_triangle_list)),
        ('clist', POINTER(ts_cell_list)),
        ('nshell', c_uint),
        ('bending_rigidity',c_double),
        ('dmax',c_double),
        ('stepsize',c_double),
        ('cm', c_double*3),
        ('volume', c_double),
        ('sphHarmonics',POINTER(ts_spharm)),
        ('poly_list', POINTER(ts_poly_list)),
        ('filament_list', POINTER(ts_poly_list)),
        ('spring_constant', c_double),
        ('pressure', c_double),
        ('pswitch', c_int),
        ('tape', POINTER(ts_tape)),
        ('R_nucleus', c_double),
        ('R_nucleusX', c_double),
        ('R_nucleusY', c_double),
        ('R_nucleusZ', c_double),
        ('nucleus_center', c_double *3 ),
        ('area', c_double),
    ]
 
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)))]
 
 
 
 
ts=CDLL('libtrisurf.so')