Data Model version 2.1.2

Method: getMolecularMass


    getter for derived attribute molecularMass

guid: www.ccpn.ac.uk_Fogh_2006-08-16-18:23:23_00050
OpType: get
OpSubType: None
isQuery: True
isAbstract: False
Scope: instance_level
Code: # get formula dictionary
dd = {}
for ca in self.chemAtoms:
  if isinstance(ca, ChemAtom):
    ss = ca.elementSymbol
    ii = dd.get(ss)
    if ii is None:
      dd[ss] = 1
    else:
      dd[ss] = ii + 1

# calculate mass
xx = self.root.currentChemElementStore
result = sum(ii * xx.findFirstChemElement(symbol=ss).mass for (ss, ii) in dd.iteritems())
  Data Model Version 2.1.2
Go to Top  
  Autogenerated by  PyApiDocGen  revision 1.3   on  Fri Mar 28 11:18:04 2014    from data model package  ccp.api.molecule.ChemComp.ChemCompVar   revision ?  
  Work done by the CCPN team.
www.ccpn.ac.uk