parameters: (self)
return_statement: return self._angleList
docstring: Return list of atom triplets, K, and ThetaMin for each bond angle
docstring_summary: Return list of atom triplets, K, and ThetaMin for each bond angle
docstring_tokens: Return list of atom triplets K and ThetaMin for each bond angle
function: def getAngles(self):
          """Return list of atom triplets, K, and ThetaMin for each bond angle"""
          try:
              return self._angleList
          except AttributeError:
              pass
          forceConstant=self._raw_data["ANGLE_FORCE_CONSTANT"]
          angleEquil=self._raw_data["ANGLE_EQUIL_VALUE"]
          anglePointers = self._raw_data["ANGLES_INC_HYDROGEN"] \
                         +self._raw_data["ANGLES_WITHOUT_HYDROGEN"]
          self._angleList=[]
          forceConstConversionFactor = (units.kilocalorie_per_mole/(units.radian*units.radian)).conversion_factor_to(units.kilojoule_per_mole/(units.radian*units.radian))
          for ii in range(0,len(anglePointers),4):
               if int(anglePointers[ii])<0 or \
                  int(anglePointers[ii+1])<0 or \
                  int(anglePointers[ii+2])<0:
                   raise Exception("Found negative angle atom pointers %s"
                                   % ((anglePointers[ii],
                                       anglePointers[ii+1],
                                       anglePointers[ii+2]),))
               iType=int(anglePointers[ii+3])-1
               self._angleList.append((int(anglePointers[ii])//3,
                                  int(anglePointers[ii+1])//3,
                                  int(anglePointers[ii+2])//3,
                                  float(forceConstant[iType])*forceConstConversionFactor,
                                  float(angleEquil[iType])))
          return self._angleList
function_tokens: def getAngles ( self ) : try : return self . _angleList except AttributeError : pass forceConstant = self . _raw_data [ "ANGLE_FORCE_CONSTANT" ] angleEquil = self . _raw_data [ "ANGLE_EQUIL_VALUE" ] anglePointers = self . _raw_data [ "ANGLES_INC_HYDROGEN" ] + self . _raw_data [ "ANGLES_WITHOUT_HYDROGEN" ] self . _angleList = [ ] forceConstConversionFactor = ( units . kilocalorie_per_mole / ( units . radian * units . radian ) ) . conversion_factor_to ( units . kilojoule_per_mole / ( units . radian * units . radian ) ) for ii in range ( 0 , len ( anglePointers ) , 4 ) : if int ( anglePointers [ ii ] ) < 0 or int ( anglePointers [ ii + 1 ] ) < 0 or int ( anglePointers [ ii + 2 ] ) < 0 : raise Exception ( "Found negative angle atom pointers %s" % ( ( anglePointers [ ii ] , anglePointers [ ii + 1 ] , anglePointers [ ii + 2 ] ) , ) ) iType = int ( anglePointers [ ii + 3 ] ) - 1 self . _angleList . append ( ( int ( anglePointers [ ii ] ) // 3 , int ( anglePointers [ ii + 1 ] ) // 3 , int ( anglePointers [ ii + 2 ] ) // 3 , float ( forceConstant [ iType ] ) * forceConstConversionFactor , float ( angleEquil [ iType ] ) ) ) return self . _angleList