diff --git a/mmtbx/geometry_restraints/geo_file_parsing.py b/mmtbx/geometry_restraints/geo_file_parsing.py index 2204fc9bea..9472b9a4eb 100644 --- a/mmtbx/geometry_restraints/geo_file_parsing.py +++ b/mmtbx/geometry_restraints/geo_file_parsing.py @@ -45,7 +45,6 @@ def __init__(self,lines,line_idx=None,origin_id=0,origin_label='covalent'): self.labels_are_i_seqs = None # boolean, atom labels are i_seqs self.labels_are_id_strs = None # boolean, atom labels are id_strs self.origin_id = origin_id - # self.origin_label = origin_label # Initialize result data structures self._proxy = None @@ -62,7 +61,6 @@ def _prepare(self): for line in self.lines[:-2]: if not line.startswith(" "): line = line.replace(line.split()[0],"") # remove name like 'bond', 'angle' - #line = line.replace("pdb=","") value = line.strip() values.append(value) @@ -105,7 +103,6 @@ def record(self): } d.update(self._numerical) d["origin_id"] = self.origin_id - # d["origin_label"] = self.origin_label self._record = d return self._record @@ -165,7 +162,6 @@ def _coerce_type(self,val): ### Start of Entry subclasses - class NonBondedEntry(Entry): name = "nonbonded" @@ -473,10 +469,10 @@ class GeoParser: Usage: parser = GeoParser(geo_lines) # Initialize entries = container.entries # Access data as Entry instances - records = container.records # Access data as lists of dicts + records = container.records # Access data as plain dictionaries - proxies = container.proxies # Access data as lists of proxies, if possible + proxies = container.proxies # Access data as proxy objects, if possible """