Uses of Class
org.helm.notation2.exception.BuilderMoleculeException

Packages that use BuilderMoleculeException

Package	Description
org.helm.notation2.calculation
org.helm.notation2.tools

Uses of BuilderMoleculeException in org.helm.notation2.calculation

Methods in org.helm.notation2.calculation that throw BuilderMoleculeException

Modifier and Type	Method and Description
static double	MoleculePropertyCalculator.getExactMass(org.helm.notation2.parser.notation.HELM2Notation helm2notation) method to get the ExactMass for the whole HELM
static String	MoleculePropertyCalculator.getMolecularFormular(org.helm.notation2.parser.notation.HELM2Notation helm2notation) method to get the MolecularFormular for the whole HELM
static double	MoleculePropertyCalculator.getMolecularWeight(org.helm.notation2.parser.notation.HELM2Notation helm2notation) method to get the molecular weight for the whole HELM
static MoleculeProperty	MoleculePropertyCalculator.getMoleculeProperties(org.helm.notation2.parser.notation.HELM2Notation helm2notation) method to get all molecule properties for one HELM2Notation

Uses of BuilderMoleculeException in org.helm.notation2.tools

Methods in org.helm.notation2.tools that throw BuilderMoleculeException

Modifier and Type	Method and Description
static List<org.helm.chemtoolkit.AbstractMolecule>	BuilderMolecule.buildMoleculefromPolymers(List<org.helm.notation2.parser.notation.polymer.PolymerNotation> polymers, List<org.helm.notation2.parser.notation.connection.ConnectionNotation> connections) method to build molecules for the whole HELMNotation
static RgroupStructure	BuilderMolecule.buildMoleculefromSinglePolymer(org.helm.notation2.parser.notation.polymer.PolymerNotation polymernotation) method to build a molecule for a single polymer
Double	WebService.calculateMolecularWeight(String notation) method to calculate from a non-ambiguous HELM input the molecular weight
String	WebService.generateCanSMILESForHELM2(String notation) method to generate a SMILES representation for a whole HELM2 input
byte[]	WebService.generateImageForHELMMolecule(String notation) method to generate a HELM molecule
byte[]	WebService.generateImageForMonomer(Monomer monomer, boolean showRgroups) method to generate an image for a monomer
static byte[]	Images.generateImageHELMMolecule(org.helm.notation2.parser.notation.HELM2Notation helm2notation) method to generate an image of the HELM molecule
static byte[]	Images.generateImageofMonomer(Monomer monomer, boolean rgroupsInformation) generates an image of the atom/bond representation of monomer
static String	MDLUtils.generateMDL(org.helm.notation2.parser.notation.HELM2Notation helm2notation) method to generate MDL for a HELM molecule
String	WebService.generateSMILESForHELM2(String notation) method to generate a SMILES representation for a whole HELM2 input
static String	SMILES.getCanonicalSMILESForAll(org.helm.notation2.parser.notation.HELM2Notation helm2notation) method to generate canonical smiles for the whole HELMNotation
static String	SMILES.getCanonicalSMILESForPolymer(org.helm.notation2.parser.notation.polymer.PolymerNotation polymer) method to generate canonical smiles for one single PolymerNotation
String	WebService.getMolecularFormula(String notation) method to calculate from a non-ambiguous HELM input the molecular formula
List<String>	WebService.getMolecularProperties(String notation) method to calculate froma non-ambiguous HELM input the molecular properties: molecular formula, molecular weight, exact mass, extinction coefficient
static org.helm.chemtoolkit.AbstractMolecule	BuilderMolecule.getMoleculeForMonomer(Monomer monomer) method to build a molecule for a given monomer
static String	SMILES.getSMILESForAll(org.helm.notation2.parser.notation.HELM2Notation helm2notation) method to generate smiles for the whole HELMNotation
static String	SMILES.getSMILESforPolymer(org.helm.notation2.parser.notation.polymer.PolymerNotation polymer) method to generate smiles for one single PolymerNotation
static org.helm.chemtoolkit.AbstractMolecule	BuilderMolecule.mergeRgroups(org.helm.chemtoolkit.AbstractMolecule molecule) method to merge all unused rgroups into a molecule