Пример #1
0
 def _create_patched_iter(self, filename, itraj, skip=0, stride=1, atom_indices=None):
     if self.is_uniform_stride(self.stride):
         flen = self._data_source.trajectory_length(itraj=itraj, stride=self.stride, skip=self.skip)
     else:
         flen = self.ra_trajectory_length(itraj)
     return patches.iterload(filename, flen, chunk=self.chunksize, top=self._data_source.featurizer.topology,
                             skip=skip, stride=stride, atom_indices=atom_indices)
Пример #2
0
 def _create_patched_iter(self,
                          filename,
                          skip=0,
                          stride=1,
                          atom_indices=None):
     return patches.iterload(filename,
                             chunk=self.chunksize,
                             top=self._data_source.featurizer.topology,
                             skip=skip,
                             stride=stride,
                             atom_indices=atom_indices)
Пример #3
0
 def _create_patched_iter(self,
                          filename,
                          skip=0,
                          stride=1,
                          atom_indices=None):
     self._logger.debug("opening trajectory \"%s\"" % filename)
     return patches.iterload(filename,
                             chunk=self.chunksize,
                             top=self._data_source.topfile,
                             skip=skip,
                             stride=stride,
                             atom_indices=atom_indices)
Пример #4
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 def _create_iter(self, filename, skip=0, stride=1):
     return patches.iterload(filename,
                             chunk=self.chunksize,
                             top=self.topfile,
                             skip=skip,
                             stride=stride)
Пример #5
0
 def _create_iter(self, filename, skip=0, stride=1, atom_indices=None):
     return patches.iterload(filename, chunk=self.chunksize,
                             top=self.topfile, skip=skip, stride=stride, atom_indices=atom_indices)
Пример #6
0
 def _create_iter(self, filename, skip=0, stride=1):
     return patches.iterload(filename, chunk=self.chunksize,
                             top=self.topfile, skip=skip, stride=stride)