UMol.UnityMolTopologyDef Class Reference

Public Member Functions
	UnityMolTopologyDef (string path=null)
Dictionary< string, List< pairString > >	parseOpenMMTopologyFile (string path)
List< UnityMolAtom >	getBondedAtomsInResidue (UnityMolAtom curAtom)
pairString	getPreviousAtomToLink (UnityMolAtom curAtom)

Public Attributes
Dictionary< string, List< pairString > >	bondedAtomsPerResidue
Dictionary< UnityMolStructure.MolecularType, string >	prefixMolType

Constructor & Destructor Documentation

UnityMolTopologyDef()

UMol.UnityMolTopologyDef.UnityMolTopologyDef

(

string

path = null

)

Member Function Documentation

getBondedAtomsInResidue()

List<UnityMolAtom> UMol.UnityMolTopologyDef.getBondedAtomsInResidue

(

UnityMolAtom

curAtom

)

getPreviousAtomToLink()

pairString UMol.UnityMolTopologyDef.getPreviousAtomToLink

(

UnityMolAtom

curAtom

)

parseOpenMMTopologyFile()

Dictionary<string, List<pairString> > UMol.UnityMolTopologyDef.parseOpenMMTopologyFile

(

string

path

)

Member Data Documentation

bondedAtomsPerResidue

Dictionary<string, List<pairString> > UMol.UnityMolTopologyDef.bondedAtomsPerResidue

prefixMolType

Dictionary<UnityMolStructure.MolecularType, string> UMol.UnityMolTopologyDef.prefixMolType

Initial value:

= 
                                                        new Dictionary<UnityMolStructure.MolecularType, string>(){
            {UnityMolStructure.MolecularType.Martini, "Martini_"},
            {UnityMolStructure.MolecularType.HIRERNA, "HIRERNA_"},
            {UnityMolStructure.MolecularType.OPEP, ""},
            {UnityMolStructure.MolecularType.standard, ""}
    }

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The documentation for this class was generated from the following file:

• C:/Users/Xavier/Dev/UnityMolX/Assets/Scripts/Topology/UnityMolTopologyDef.cs