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Commit e79f1488 authored by Jason Swails's avatar Jason Swails
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Remove unnecessary trailing ;

parent fd74112b
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Showing with 26 additions and 26 deletions
wrappers/python/simtk/openmm/app/gromacstopfile.py
View file @ e79f1488
......@@ -259,7 +259,7 @@ class GromacsTopFile(object):
"""Process the [ defaults ] line."""
fields = line.split()
if len(fields) < 4:
raise ValueError('Too few fields in [ defaults ] line: '+line);
raise ValueError('Too few fields in [ defaults ] line: '+line)
if fields[0] != '1':
raise ValueError('Unsupported nonbonded type: '+fields[0])
if fields[1] != '2':
......@@ -272,7 +272,7 @@ class GromacsTopFile(object):
"""Process a line in the [ moleculetypes ] category."""
fields = line.split()
if len(fields) < 1:
raise ValueError('Too few fields in [ moleculetypes ] line: '+line);
raise ValueError('Too few fields in [ moleculetypes ] line: '+line)
type = GromacsTopFile._MoleculeType()
self._moleculeTypes[fields[0]] = type
self._currentMoleculeType = type
......@@ -281,7 +281,7 @@ class GromacsTopFile(object):
"""Process a line in the [ molecules ] category."""
fields = line.split()
if len(fields) < 2:
raise ValueError('Too few fields in [ molecules ] line: '+line);
raise ValueError('Too few fields in [ molecules ] line: '+line)
self._molecules.append((fields[0], int(fields[1])))
def _processAtom(self, line):
......@@ -290,7 +290,7 @@ class GromacsTopFile(object):
raise ValueError('Found [ atoms ] section before [ moleculetype ]')
fields = line.split()
if len(fields) < 5:
raise ValueError('Too few fields in [ atoms ] line: '+line);
raise ValueError('Too few fields in [ atoms ] line: '+line)
self._currentMoleculeType.atoms.append(fields)
def _processBond(self, line):
......@@ -299,9 +299,9 @@ class GromacsTopFile(object):
raise ValueError('Found [ bonds ] section before [ moleculetype ]')
fields = line.split()
if len(fields) < 3:
raise ValueError('Too few fields in [ bonds ] line: '+line);
raise ValueError('Too few fields in [ bonds ] line: '+line)
if fields[2] != '1':
raise ValueError('Unsupported function type in [ bonds ] line: '+line);
raise ValueError('Unsupported function type in [ bonds ] line: '+line)
self._currentMoleculeType.bonds.append(fields)
def _processAngle(self, line):
......@@ -310,9 +310,9 @@ class GromacsTopFile(object):
raise ValueError('Found [ angles ] section before [ moleculetype ]')
fields = line.split()
if len(fields) < 4:
raise ValueError('Too few fields in [ angles ] line: '+line);
raise ValueError('Too few fields in [ angles ] line: '+line)
if fields[3] not in ('1', '5'):
raise ValueError('Unsupported function type in [ angles ] line: '+line);
raise ValueError('Unsupported function type in [ angles ] line: '+line)
self._currentMoleculeType.angles.append(fields)
def _processDihedral(self, line):
......@@ -321,9 +321,9 @@ class GromacsTopFile(object):
raise ValueError('Found [ dihedrals ] section before [ moleculetype ]')
fields = line.split()
if len(fields) < 5:
raise ValueError('Too few fields in [ dihedrals ] line: '+line);
raise ValueError('Too few fields in [ dihedrals ] line: '+line)
if fields[4] not in ('1', '2', '3', '4', '9'):
raise ValueError('Unsupported function type in [ dihedrals ] line: '+line);
raise ValueError('Unsupported function type in [ dihedrals ] line: '+line)
self._currentMoleculeType.dihedrals.append(fields)
def _processExclusion(self, line):
......@@ -332,7 +332,7 @@ class GromacsTopFile(object):
raise ValueError('Found [ exclusions ] section before [ moleculetype ]')
fields = line.split()
if len(fields) < 2:
raise ValueError('Too few fields in [ exclusions ] line: '+line);
raise ValueError('Too few fields in [ exclusions ] line: '+line)
self._currentMoleculeType.exclusions.append(fields)
def _processPair(self, line):
......@@ -341,9 +341,9 @@ class GromacsTopFile(object):
raise ValueError('Found [ pairs ] section before [ moleculetype ]')
fields = line.split()
if len(fields) < 3:
raise ValueError('Too few fields in [ pairs ] line: '+line);
raise ValueError('Too few fields in [ pairs ] line: '+line)
if fields[2] != '1':
raise ValueError('Unsupported function type in [ pairs ] line: '+line);
raise ValueError('Unsupported function type in [ pairs ] line: '+line)
self._currentMoleculeType.pairs.append(fields)
def _processCmap(self, line):
......@@ -352,14 +352,14 @@ class GromacsTopFile(object):
raise ValueError('Found [ cmap ] section before [ moleculetype ]')
fields = line.split()
if len(fields) < 6:
raise ValueError('Too few fields in [ cmap ] line: '+line);
raise ValueError('Too few fields in [ cmap ] line: '+line)
self._currentMoleculeType.cmaps.append(fields)
def _processAtomType(self, line):
"""Process a line in the [ atomtypes ] category."""
fields = line.split()
if len(fields) < 6:
raise ValueError('Too few fields in [ atomtypes ] line: '+line);
raise ValueError('Too few fields in [ atomtypes ] line: '+line)
if len(fields[3]) == 1:
# Bonded type and atomic number are both missing.
fields.insert(1, None)
......@@ -377,27 +377,27 @@ class GromacsTopFile(object):
"""Process a line in the [ bondtypes ] category."""
fields = line.split()
if len(fields) < 5:
raise ValueError('Too few fields in [ bondtypes ] line: '+line);
raise ValueError('Too few fields in [ bondtypes ] line: '+line)
if fields[2] != '1':
raise ValueError('Unsupported function type in [ bondtypes ] line: '+line);
raise ValueError('Unsupported function type in [ bondtypes ] line: '+line)
self._bondTypes[tuple(fields[:2])] = fields
def _processAngleType(self, line):
"""Process a line in the [ angletypes ] category."""
fields = line.split()
if len(fields) < 6:
raise ValueError('Too few fields in [ angletypes ] line: '+line);
raise ValueError('Too few fields in [ angletypes ] line: '+line)
if fields[3] not in ('1', '5'):
raise ValueError('Unsupported function type in [ angletypes ] line: '+line);
raise ValueError('Unsupported function type in [ angletypes ] line: '+line)
self._angleTypes[tuple(fields[:3])] = fields
def _processDihedralType(self, line):
"""Process a line in the [ dihedraltypes ] category."""
fields = line.split()
if len(fields) < 7:
raise ValueError('Too few fields in [ dihedraltypes ] line: '+line);
raise ValueError('Too few fields in [ dihedraltypes ] line: '+line)
if fields[4] not in ('1', '2', '3', '4', '9'):
raise ValueError('Unsupported function type in [ dihedraltypes ] line: '+line);
raise ValueError('Unsupported function type in [ dihedraltypes ] line: '+line)
key = tuple(fields[:5])
if fields[4] == '9' and key in self._dihedralTypes:
# There are multiple dihedrals defined for these atom types.
......@@ -409,25 +409,25 @@ class GromacsTopFile(object):
"""Process a line in the [ implicit_genborn_params ] category."""
fields = line.split()
if len(fields) < 6:
raise ValueError('Too few fields in [ implicit_genborn_params ] line: '+line);
raise ValueError('Too few fields in [ implicit_genborn_params ] line: '+line)
self._implicitTypes[fields[0]] = fields
def _processPairType(self, line):
"""Process a line in the [ pairtypes ] category."""
fields = line.split()
if len(fields) < 5:
raise ValueError('Too few fields in [ pairtypes] line: '+line);
raise ValueError('Too few fields in [ pairtypes] line: '+line)
if fields[2] != '1':
raise ValueError('Unsupported function type in [ pairtypes ] line: '+line);
raise ValueError('Unsupported function type in [ pairtypes ] line: '+line)
self._pairTypes[tuple(fields[:2])] = fields
def _processCmapType(self, line):
"""Process a line in the [ cmaptypes ] category."""
fields = line.split()
if len(fields) < 8 or len(fields) < 8+int(fields[6])*int(fields[7]):
raise ValueError('Too few fields in [ cmaptypes ] line: '+line);
raise ValueError('Too few fields in [ cmaptypes ] line: '+line)
if fields[5] != '1':
raise ValueError('Unsupported function type in [ cmaptypes ] line: '+line);
raise ValueError('Unsupported function type in [ cmaptypes ] line: '+line)
self._cmapTypes[tuple(fields[:5])] = fields
def __init__(self, file, periodicBoxVectors=None, unitCellDimensions=None, includeDir=None, defines=None):
......
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