@@ -189,8 +189,9 @@
Loading
189 189
        if not isinstance(atom, Chem.rdchem.Atom):
190 190
            raise TypeError("Expecting a rdchem.Atom instead of %s" % type(atom))
191 191
        self.atom = atom
192 +
        self._idx = self.atom.GetIdx()
192 193
193 -
    def __str__(self): return '%i%s' % (self.get_index(), self.atom.GetSymbol())
194 +
    def __str__(self): return '%i%s' % (self._idx, self.atom.GetSymbol())
194 195
195 196
    def atomic_number(self):
196 197
        """
@@ -286,7 +287,7 @@
Loading
286 287
        index: int
287 288
            atom index in its molecule
288 289
        """
289 -
        return self.atom.GetIdx()
290 +
        return self._idx
290 291
291 292
    def is_connected_to(self, atom2):
292 293
        """
@@ -487,7 +488,7 @@
Loading
487 488
        mol_path = get_data_path(os.path.join('molecules', mol2_file))
488 489
489 490
        if not os.path.exists(mol_path):
490 -
            raise IOError("File '%s' not found locally or in chemper/data/molecules." % mol_file)
491 +
            raise IOError("File '%s' not found locally or in chemper/data/molecules." % mol2_file)
491 492
        else:
492 493
            mol2_file = mol_path
493 494
@@ -502,7 +503,7 @@
Loading
502 503
    molecules = list()
503 504
    mol2_block = list()
504 505
505 -
    file_open = open(mol2_file, 'r')
506 +
    file_open = open(mol2_file)
506 507
507 508
    for line in file_open:
508 509
        if line.startswith(delimiter) and mol2_block:

@@ -190,9 +190,9 @@
Loading
190 190
        if not isinstance(atom, oechem.OEAtomBase):
191 191
            raise TypeError("Expecting an OEAtomBase object instead of %s" % type(atom))
192 192
        self.atom = atom
193 -
        self._index = self.atom.GetIdx()
193 +
        self._idx = self.atom.GetIdx()
194 194
195 -
    def __str__(self): return "%i%s" % (self.get_index(),
195 +
    def __str__(self): return "%i%s" % (self._idx,
196 196
                                        oechem.OEGetAtomicSymbol(self.atomic_number()))
197 197
198 198
    def atomic_number(self):
@@ -283,7 +283,7 @@
Loading
283 283
        index: int
284 284
            atom index in its molecule
285 285
        """
286 -
        return self._index
286 +
        return self._idx
287 287
288 288
    def is_connected_to(self, atom2):
289 289
        """
Files Coverage
chemper 81.81%
Project Totals (11 files) 81.81%
576.4
TRAVIS_PYTHON_VERSION=3.6
TRAVIS_OS_NAME=linux
576.3
TRAVIS_OS_NAME=linux
576.1
TRAVIS_OS_NAME=osx
576.2
TRAVIS_OS_NAME=osx
sfeg0ys5q2qrpli2
y1pnmug6akn2ftmt
1
coverage:
2
  ignore:
3
    - test/.*
4
    - compare/.*
5
    - test_helper.py
6
    - setup.py
7
  status:
8
    patch: false
9
    project:
10
      default:
11
        threshold: 80%
12
comment:
13
  layout: "header"
14
  require_changes: false
15
  branches: null
16
  behavior: default
17
  flags: null
18
  paths: null
Sunburst
The inner-most circle is the entire project, moving away from the center are folders then, finally, a single file. The size and color of each slice is representing the number of statements and the coverage, respectively.
Icicle
The top section represents the entire project. Proceeding with folders and finally individual files. The size and color of each slice is representing the number of statements and the coverage, respectively.
Grid
Each block represents a single file in the project. The size and color of each block is represented by the number of statements and the coverage, respectively.
Loading