Class InventorTemplate
- java.lang.Object
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- com.actelion.research.chem.coords.InventorTemplate
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public class InventorTemplate extends java.lang.Object
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Constructor Summary
Constructors Constructor Description InventorTemplate(StereoMolecule fragment, long[] ffp, boolean keepAbsoluteOrientation)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description long[]
getFFP()
StereoMolecule
getFragment()
double
getNormalizedAtomX(int atom)
double
getNormalizedAtomY(int atom)
boolean
keepAbsoluteOrientation()
void
normalizeCoordinates()
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Constructor Detail
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InventorTemplate
public InventorTemplate(StereoMolecule fragment, long[] ffp, boolean keepAbsoluteOrientation)
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Method Detail
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keepAbsoluteOrientation
public boolean keepAbsoluteOrientation()
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normalizeCoordinates
public void normalizeCoordinates()
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getNormalizedAtomX
public double getNormalizedAtomX(int atom)
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getNormalizedAtomY
public double getNormalizedAtomY(int atom)
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getFragment
public StereoMolecule getFragment()
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getFFP
public long[] getFFP()
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