Python DataSet.get_trajfn Examples

Example #1

File: ticaapp.py Project: rmcgibbo/msmbuilder3

 def _yield_input(self, with_filenames=False):
     if self.source == "vector":
         for data in self.vectorapp.yield_transform(with_filenames):
             yield data
     else:
         dataset = DataSet(self.input)
         for key in dataset.keys():
             if with_filenames:
                 yield dataset[key], dataset.get_trajfn(key)
             else:
                 yield dataset[key]
         self.input_provenance = dataset.provenance
         dataset.close()

Example #2

File: kcentersapp.py Project: rmcgibbo/msmbuilder3

 def _yield_input(self, with_filenames=False):
     if self.source == 'tICA':
         for data in self.ticaapp.yield_transform(with_filenames):
             yield data
     elif self.source == 'vector':
         for data in self.vector.yield_transform(with_filenames):
             yield data
     elif self.source == 'precomputed':
         dataset = DataSet(self.input)
         for key in dataset.keys():
             if with_filenames:
                 yield dataset[key], dataset.get_trajfn(key)
             else:
                 yield dataset[key]
         self.input_provenance = dataset.provenance
         dataset.close()
     else:
         raise RuntimeError(self.source)