def get_index(atoms,
ngroups,
filename=c_char_p(),
isizep=None,
indexp=None,
grpnamesp=None):
if type(filename) == str:
filename = c_char_p(filename)
if not isizep:
isize = (c_int * ngroups)()
isizep = pointer(isize)
if not indexp:
index = (POINTER(c_int) * ngroups)()
indexp = pointer(index)
if not grpnamesp:
grpnames = (c_char_p * ngroups)()
grpnamesp = pointer(grpnames)
libgmx.get_index(byref(atoms), filename, ngroups, isizep, indexp,
grpnamesp)
if auto_mode & mNumPy:
nindex = [0] * ngroups
for i in range(ngroups):
tmp = (c_int * isize[i]).from_address(addressof(index[i].contents))
nindex[i] = N.frombuffer(tmp,
dtype=N.int32) #count=3*self.f.natoms
index = nindex
return isize, index, grpnames
def get_index(atoms, ngroups, filename=c_char_p(), isizep=None, indexp=None, grpnamesp=None):
if type(filename) == str:
filename = c_char_p(filename)
if not isizep:
isize = (c_int * ngroups)()
isizep = pointer(isize)
if not indexp:
index = (POINTER(c_int) * ngroups)()
indexp = pointer(index)
if not grpnamesp:
grpnames = (c_char_p * ngroups)()
grpnamesp = pointer(grpnames)
libgmx.get_index(byref(atoms), filename, ngroups, isizep, indexp, grpnamesp)
if auto_mode & mNumPy:
nindex = [0] * ngroups
for i in range(ngroups):
tmp = (c_int * isize[i]).from_address(addressof(index[i].contents))
nindex[i] = N.frombuffer(tmp, dtype=N.int32) # count=3*self.f.natoms
index = nindex
return isize, index, grpnames
def get_index(atoms,
ngroups,
filename=c_char_p(),
isizep=None,
indexp=None,
grpnamesp=None):
if type(filename) == str:
filename = c_char_p(filename)
if not isizep:
isize = (c_int * ngroups)()
isizep = pointer(isize)
if not indexp:
index = (POINTER(c_int) * ngroups)()
indexp = pointer(index)
if not grpnamesp:
grpnames = (c_char_p * ngroups)()
grpnamesp = pointer(grpnames)
libgmx.get_index(byref(atoms), filename, ngroups, isizep, indexp,
grpnamesp)
return isize, index, grpnames
