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IAtomType org::openscience::cdk::config::AtomTypeFactory::getAtomType ( String  identifier  )  throws NoSuchAtomTypeException [inline]

Get an AtomType with the given ID.

Parameters:
identifier an ID for a particular atom type (like C$)
Returns:
The AtomType for this id
Exceptions:
NoSuchAtomTypeException Thrown if the atom type does not exist.

Definition at line 270 of file AtomTypeFactory.java.

References org::openscience::cdk::interfaces::IAtomType::getAtomTypeName().

Referenced by org::openscience::cdk::qsar::descriptors::atomic::VdWRadiusDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::atomic::InductiveAtomicSoftnessDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::atomic::InductiveAtomicHardnessDescriptor::calculate(), org::openscience::cdk::qsar::descriptors::atomic::CovalentRadiusDescriptor::calculate(), configure(), org::openscience::cdk::atomtype::MMFF94AtomTypeMatcher::findMatchingAtomType(), org::openscience::cdk::atomtype::MM2AtomTypeMatcher::findMatchingAtomType(), org::openscience::cdk::charges::InductivePartialCharges::getAtomicChargeIncrement(), org::openscience::cdk::charges::InductivePartialCharges::getAtomicSoftnessCore(), org::openscience::cdk::charges::GasteigerPEPEPartialCharges::getElectrostaticPotentialN(), org::openscience::cdk::io::PDBReader::readAtom(), and org::openscience::cdk::io::Mol2Reader::readMolecule().

      {
            IAtomType atomType;
            for (int f = 0; f < atomTypes.size(); f++)
            {
                  atomType = (IAtomType) atomTypes.get(f);
                  if (atomType.getAtomTypeName().equals(identifier)) {
                        return atomType;
                  }
            }
            throw new NoSuchAtomTypeException("The AtomType " + identifier + " could not be found");
      }


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