Package org.jmol.util
Class MolWriter
- java.lang.Object
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- org.jmol.util.MolWriter
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public class MolWriter extends java.lang.Object
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Constructor Summary
Constructors Constructor Description MolWriter()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description boolean
addMolFile(int iModel, javajs.util.SB mol, javajs.util.BS bsAtoms, javajs.util.BS bsBonds, boolean asV3000, boolean asJSON, boolean noAromatic, javajs.util.Quat q)
private java.lang.String
getAtomParity(Atom a)
private java.lang.String
getAtomPropertyAsString(Atom a, int tok)
private void
getAtomRecordMOL(int iModel, ModelSet ms, javajs.util.SB mol, int n, Atom a, javajs.util.Quat q, javajs.util.P3 pTemp, boolean asV3000, boolean asJSON, javajs.util.SB atomValues, int tokValue, boolean asSDF)
private void
getBondRecordMOL(javajs.util.SB mol, int n, Bond b, int[] atomMap, boolean asV3000, boolean asJSON, boolean noAromatic)
private void
output80CharWrap(javajs.util.SB mol, java.lang.String data, int maxN)
private void
outputLines(javajs.util.SB mol, java.lang.String data, int maxN)
MolWriter
setViewer(Viewer vwr)
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Field Detail
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vwr
private Viewer vwr
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ptTemp
private javajs.util.P3 ptTemp
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vNorm
private javajs.util.T3 vNorm
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vTemp
private javajs.util.T3 vTemp
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connections
private int[] connections
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Method Detail
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addMolFile
public boolean addMolFile(int iModel, javajs.util.SB mol, javajs.util.BS bsAtoms, javajs.util.BS bsBonds, boolean asV3000, boolean asJSON, boolean noAromatic, javajs.util.Quat q)
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getAtomRecordMOL
private void getAtomRecordMOL(int iModel, ModelSet ms, javajs.util.SB mol, int n, Atom a, javajs.util.Quat q, javajs.util.P3 pTemp, boolean asV3000, boolean asJSON, javajs.util.SB atomValues, int tokValue, boolean asSDF)
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getAtomParity
private java.lang.String getAtomParity(Atom a)
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getAtomPropertyAsString
private java.lang.String getAtomPropertyAsString(Atom a, int tok)
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getBondRecordMOL
private void getBondRecordMOL(javajs.util.SB mol, int n, Bond b, int[] atomMap, boolean asV3000, boolean asJSON, boolean noAromatic)
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output80CharWrap
private void output80CharWrap(javajs.util.SB mol, java.lang.String data, int maxN)
- Parameters:
mol
-data
-maxN
- 80 for multi-line wrap; something smaller for single line output
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outputLines
private void outputLines(javajs.util.SB mol, java.lang.String data, int maxN)
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