Package org.jmol.adapter.readers.simple
Class InputReader
- java.lang.Object
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- org.jmol.adapter.smarter.AtomSetCollectionReader
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- org.jmol.adapter.readers.simple.InputReader
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- All Implemented Interfaces:
javajs.api.GenericLineReader
- Direct Known Subclasses:
MopacArchiveReader
public class InputReader extends AtomSetCollectionReader
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Field Summary
Fields Modifier and Type Field Description protected intacprivate java.util.Map<java.lang.String,java.lang.Integer>atomMapprivate booleanfirstLineprivate booleanisHeaderprivate booleanisJmolZformatprivate booleanisMopacprivate javajs.util.Lst<java.lang.String[]>lineBufferprivate javajs.util.P4plane1private javajs.util.P4plane2private javajs.util.P3pt0private java.util.Map<java.lang.String,java.lang.Float>symbolicMapprivate java.lang.String[]tokensprivate javajs.util.V3v1private javajs.util.V3v2protected javajs.util.Lst<Atom>vAtoms-
Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
addedData, addedDataKey, addVibrations, allowPDBFilter, ANGSTROMS_PER_BOHR, applySymmetryToBonds, asc, baseAtomIndex, binaryDoc, bsFilter, bsModels, calculationType, continuing, debugging, desiredModelNumber, desiredSpaceGroupIndex, desiredVibrationNumber, doApplySymmetry, doCentralize, doCheckUnitCell, doConvertToFractional, doPackUnitCell, doProcessLines, doReadMolecularOrbitals, dssr, fileName, fileOffset, filePath, fileScaling, fillRange, filter, filterHetero, fixJavaFloat, forcePacked, getHeader, haveAtomFilter, haveModel, havePartialChargeFilter, htParams, ignoreFileSpaceGroupName, ignoreFileSymmetryOperators, ignoreFileUnitCell, ignoreStructure, iHaveFractionalCoordinates, iHaveSymmetryOperators, iHaveUnitCell, isBinary, isConcatenated, isDSSP1, isFinalized, isMolecular, isSequential, isTrajectory, latticeCells, latticeScaling, line, lstNCS, matUnitCellOrientation, modelNumber, ms, mustFinalizeModelSet, next, out, packingError, prevline, ptLine, ptSupercell, reader, readerName, reverseModels, sgName, stateScriptVersionInt, strSupercell, symmetry, templateAtomCount, thisBiomolecule, trajectorySteps, unitCellOffset, unitCellParams, useAltNames, useFileModelNumbers, validation, vibrationNumber, vibsFractional, vwr
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Constructor Summary
Constructors Constructor Description InputReader()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description protected booleancheckLine()private java.lang.StringcleanLine()protected voidfinalizeSubclassReader()optional reader-specific method run first.private AtomgetAtom()private AtomgetAtomGeneral(Atom atom, int ia, int bondOrder)private intgetAtomIndex(int i)private voidgetSymbolic()private floatgetSymbolic(java.lang.String key)private floatgetValue(int i)private voidparseAtomTokens(Atom atom, java.lang.String element)private booleanreadBlock(java.lang.String strEnd)private voidreadCFI()private voidreadConFile()private booleanreadVFI()protected AtomsetAtom(Atom atom, int ia, int ib, int ic, float d, float theta1, float theta2)-
Methods inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader
addAtomXYZSymName, addJmolScript, addPrimitiveLatticeVector, addSites, addSiteScript, appendLoadNote, appendUunitCellInfo, applySymmetryAndSetTrajectory, applySymTrajASCR, checkCurrentLineForScript, checkFilterKey, checkLastModel, checkLineForScript, clearUnitCell, cloneLastAtomSet, discardLinesUntilBlank, discardLinesUntilContains, discardLinesUntilContains2, discardLinesUntilNonBlank, discardLinesUntilStartsWith, discardPreviousAtoms, doGetModel, doGetVibration, doPreSymmetry, fillDataBlock, fillDataBlockFixed, fillFloatArray, fillFrequencyData, filterAtom, filterReject, finalizeMOData, finalizeModelSet, finalizeReaderASCR, finalizeSubclassSymmetry, forceSymmetry, fractionalizeCoordinates, getElementSymbol, getFilter, getFortranFormatLengths, getInterface, getNewSymmetry, getStrings, getSymmetry, getTokens, getTokensFloat, initializeReader, initializeSymmetry, initializeSymmetryOptions, initializeTrajectoryFile, isLastModel, newAtomSet, parseFloat, parseFloatRange, parseFloatStr, parseInt, parseIntAt, parseIntRange, parseIntStr, parseToken, parseTokenNext, parseTokenRange, parseTokenStr, processBinaryDocument, processDOM, rd, read3Vectors, readDataObject, readLines, readNextLine, rejectAtomName, RL, set2D, setAtomCoord, setAtomCoordScaled, setAtomCoordTokens, setAtomCoordXYZ, setChainID, setElementAndIsotope, setFilter, setFilterAtomTypeStr, setFractionalCoordinates, setIsPDB, setLoadNote, setModelPDB, setSpaceGroupName, setSymmetryOperator, setTransform, setUnitCell, setUnitCellItem, setup, setupASCR
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Field Detail
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ac
protected int ac
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vAtoms
protected javajs.util.Lst<Atom> vAtoms
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atomMap
private java.util.Map<java.lang.String,java.lang.Integer> atomMap
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tokens
private java.lang.String[] tokens
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isJmolZformat
private boolean isJmolZformat
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lineBuffer
private javajs.util.Lst<java.lang.String[]> lineBuffer
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symbolicMap
private java.util.Map<java.lang.String,java.lang.Float> symbolicMap
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isMopac
private boolean isMopac
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isHeader
private boolean isHeader
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firstLine
private boolean firstLine
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pt0
private final javajs.util.P3 pt0
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v1
private final javajs.util.V3 v1
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v2
private final javajs.util.V3 v2
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plane1
private final javajs.util.P4 plane1
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plane2
private final javajs.util.P4 plane2
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Method Detail
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checkLine
protected boolean checkLine() throws java.lang.Exception- Overrides:
checkLinein classAtomSetCollectionReader- Returns:
- true if need to read new line
- Throws:
java.lang.Exception
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readConFile
private void readConFile() throws java.lang.Exception- Throws:
java.lang.Exception
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readCFI
private void readCFI() throws java.lang.Exception- Throws:
java.lang.Exception
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readVFI
private boolean readVFI() throws java.lang.Exception- Throws:
java.lang.Exception
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readBlock
private boolean readBlock(java.lang.String strEnd) throws java.lang.Exception- Throws:
java.lang.Exception
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cleanLine
private java.lang.String cleanLine()
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finalizeSubclassReader
protected void finalizeSubclassReader() throws java.lang.ExceptionDescription copied from class:AtomSetCollectionReaderoptional reader-specific method run first.- Overrides:
finalizeSubclassReaderin classAtomSetCollectionReader- Throws:
java.lang.Exception
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getSymbolic
private void getSymbolic()
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getAtom
private Atom getAtom() throws java.lang.Exception
- Throws:
java.lang.Exception
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parseAtomTokens
private void parseAtomTokens(Atom atom, java.lang.String element) throws java.lang.Exception
- Throws:
java.lang.Exception
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getAtomGeneral
private Atom getAtomGeneral(Atom atom, int ia, int bondOrder) throws java.lang.Exception
- Throws:
java.lang.Exception
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getSymbolic
private float getSymbolic(java.lang.String key)
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getValue
private float getValue(int i) throws java.lang.Exception- Throws:
java.lang.Exception
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getAtomIndex
private int getAtomIndex(int i)
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