Package chemaxon.marvin.space
Class AtomProperty.SmoleculeAtomProperty
- java.lang.Object
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- chemaxon.marvin.space.AtomProperty.SmoleculeAtomProperty
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- All Implemented Interfaces:
chemaxon.struc.MoleculeIterators.AtomPropertyInterface
- Enclosing class:
- AtomProperty
public class AtomProperty.SmoleculeAtomProperty extends Object implements chemaxon.struc.MoleculeIterators.AtomPropertyInterface
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Constructor Summary
Constructors Constructor Description SmoleculeAtomProperty()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description float
getBFactor(int atomIndex)
float
getCharge(int atomIndex)
String
getLabel(int atomIndex)
float
getPartialAtomCharge(int atomIndex)
int
getResidueTypeId(int atomIndex)
int
getSecondaryStructureType(int atomIndex)
int
getType(int atomIndex)
float
getX(int atomIndex)
float
getY(int atomIndex)
float
getZ(int atomIndex)
void
setCoordinates(Object coord, int i)
void
setMolecule(Object mol)
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Method Detail
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setMolecule
public void setMolecule(Object mol)
- Specified by:
setMolecule
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
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setCoordinates
public void setCoordinates(Object coord, int i)
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getType
public int getType(int atomIndex)
- Specified by:
getType
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
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getLabel
public String getLabel(int atomIndex)
- Specified by:
getLabel
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
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getCharge
public float getCharge(int atomIndex)
- Specified by:
getCharge
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
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getBFactor
public float getBFactor(int atomIndex)
- Specified by:
getBFactor
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
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getPartialAtomCharge
public float getPartialAtomCharge(int atomIndex) throws Exception
- Specified by:
getPartialAtomCharge
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
- Throws:
Exception
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getResidueTypeId
public int getResidueTypeId(int atomIndex)
- Specified by:
getResidueTypeId
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
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getSecondaryStructureType
public int getSecondaryStructureType(int atomIndex)
- Specified by:
getSecondaryStructureType
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
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getX
public float getX(int atomIndex)
- Specified by:
getX
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
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getY
public float getY(int atomIndex)
- Specified by:
getY
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
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getZ
public float getZ(int atomIndex)
- Specified by:
getZ
in interfacechemaxon.struc.MoleculeIterators.AtomPropertyInterface
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