def load_pointers(self):
"""
Loads the data in POINTERS section into a pointers dictionary with each
key being the pointer name according to http://ambermd.org/formats.html
"""
AmberParm.load_pointers(self)
# Other pointers
nub, nubtypes = self.parm_data['CHARMM_UREY_BRADLEY_COUNT'][:2]
self.pointers['NUB'] = nub
self.pointers['NUBTYPES'] = nubtypes
self.pointers['NIMPHI'] = self.parm_data['CHARMM_NUM_IMPROPERS'][0]
self.pointers['NIMPRTYPES'] = self.parm_data['CHARMM_NUM_IMPR_TYPES'][0]
# If CMAP is not present, don't load the pointers
if self.has_cmap:
self.pointers['CMAP'] = self.parm_data['CHARMM_CMAP_COUNT'][0]
self.pointers['CMAP_TYPES'] = self.parm_data['CHARMM_CMAP_COUNT'][1]
def load_pointers(self):
"""
Loads the data in POINTERS section into a pointers dictionary with each
key being the pointer name according to http://ambermd.org/formats.html
"""
AmberParm.load_pointers(self)
# Other pointers
nub, nubtypes = self.parm_data['CHARMM_UREY_BRADLEY_COUNT'][:2]
self.pointers['NUB'] = nub
self.pointers['NUBTYPES'] = nubtypes
self.pointers['NIMPHI'] = self.parm_data['CHARMM_NUM_IMPROPERS'][0]
self.pointers['NIMPRTYPES'] = self.parm_data['CHARMM_NUM_IMPR_TYPES'][
0]
# If CMAP is not present, don't load the pointers
if self.has_cmap:
self.pointers['CMAP'] = self.parm_data['CHARMM_CMAP_COUNT'][0]
self.pointers['CMAP_TYPES'] = self.parm_data['CHARMM_CMAP_COUNT'][
1]
