Package org.jmol.jvxl.readers
Class PeriodicVolumeFileReader
java.lang.Object
org.jmol.jvxl.readers.SurfaceReader
org.jmol.jvxl.readers.PeriodicVolumeFileReader
- All Implemented Interfaces:
VertexDataServer
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Field Summary
FieldsModifier and TypeFieldDescriptionprotected int
protected GenericBinaryDocument
protected P3[]
protected BufferedReader
protected boolean
protected int
protected int[]
protected boolean
protected boolean
protected String
protected int
protected boolean
protected int[]
protected int
protected int
protected int
protected int
protected OC
protected boolean
Fields inherited from class org.jmol.jvxl.readers.SurfaceReader
allowSigma, anisotropy, center, cJvxlEdgeNaN, colorFractionBase, colorFractionRange, contourVertexCount, dataMax, dataMean, dataMin, eccentricityMatrix, eccentricityMatrixInverse, eccentricityRatio, eccentricityScale, edgeFractionBase, edgeFractionRange, fractionData, haveSurfaceAtoms, isAnisotropic, isEccentric, isJvxl, isPeriodic, isProgressive, isQuiet, isXLowToHigh, jvxlColorDataRead, jvxlCutoff, jvxlCutoffRange, jvxlData, jvxlDataIs2dContour, jvxlDataIsColorDensity, jvxlDataIsColorMapped, jvxlDataIsPrecisionColor, jvxlEdgeDataRead, jvxlFileHeaderBuffer, jvxlNSurfaceInts, jvxlVoxelBitSet, marchingCubes, marchingSquares, meshData, meshDataServer, minMax, nBytes, nDataPoints, nPointsX, nPointsY, nPointsZ, params, ptTemp, qpc, sg, volumetricOrigin, volumetricVectors, voxelCounts, voxelData, xyzMax, xyzMin, yzCount, yzPlanes
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionprotected static boolean
checkAtomLine
(boolean isXLowToHigh, boolean isAngstroms, String strAtomCount, String atomLine, SB bs) checks an atom line for "ANGSTROMS", possibly overriding the data's natural units, BOHR (similar to Gaussian CUBE files).protected void
protected void
protected float
protected float
protected abstract void
float[]
getPlane
(int x) float[]
getPlaneNCI
(int x) Retrieve raw file planes and pass them to the calculation object for processing into new data.protected String
protected float
getSPFv
(float cutoff, boolean isCutoffAbsolute, float valueA, float valueB, T3 pointA, V3 edgeVector, int x, int y, int z, int vA, int vB, float[] fReturn, T3 ptReturn) protected float
getSurfacePointAndFraction
(float cutoff, boolean isCutoffAbsolute, float valueA, float valueB, T3 pointA, V3 edgeVector, int x, int y, int z, int vA, int vB, float[] fReturn, T3 ptReturn) protected String[]
float
getValue
(int x, int y, int z, int ptyz) for readers onlyprotected BS
getVoxelBitSet
(int nPoints) protected void
gotoData
(int n, int nPoints) protected float
protected float
protected float[]
parseFloatArray
(float[] a, String strStart, String strEnd) protected float[]
protected float
parseFloatRange
(String s, int iStart, int iEnd) protected float
protected int
parseInt()
protected int
protected int
protected String
rd()
protected abstract void
protected void
readSurfaceData
(boolean isMapData) protected void
readSurfaceDataVFR
(boolean isMapData) protected boolean
readVolumeData
(boolean isMapData) protected boolean
readVolumeDataVFR
(boolean isMapData) protected boolean
readVolumeParameters
(boolean isMapData) protected void
readVoxelVector
(int voxelVectorIndex) protected float
recordData
(float value) protected void
setOutputChannel
(OC out) protected void
protected String
skipComments
(boolean allowBlankLines) protected void
skipData
(int nPoints) protected void
skipDataVFR
(int nPoints) protected void
protected void
swapXZ()
Methods inherited from class org.jmol.jvxl.readers.SurfaceReader
addTriangleCheck, addVC, addVertexCopy, discardTempDataSR, finalizeMapping, getMinMaxMappedValues, getPlaneSR, getSPF, getSurfaceAtomIndex, getSurfacePointIndexAndFraction, getValue2, getValueAtPoint, gotoAndReadVoxelData, newVoxelDataCube, postProcessVertices, readColorData, selectPocket, setBBox, setVectorAnisotropy, setVertexAnisotropy, setVolumeDataV, setVolumetricAnisotropy, setVolumetricOriginAnisotropy, slabIsosurface
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Field Details
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endOfData
protected boolean endOfData -
negativeAtomCount
protected boolean negativeAtomCount -
ac
protected int ac -
nSurfaces
protected int nSurfaces -
isAngstroms
protected boolean isAngstroms -
canDownsample
protected boolean canDownsample -
downsampleRemainders
protected int[] downsampleRemainders -
nData
protected int nData -
readerClosed
protected boolean readerClosed -
downsampleFactor
protected int downsampleFactor -
nSkipX
protected int nSkipX -
nSkipY
protected int nSkipY -
nSkipZ
protected int nSkipZ -
boundingBox
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br
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binarydoc
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out
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line
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next
protected int[] next
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Constructor Details
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PeriodicVolumeFileReader
public PeriodicVolumeFileReader()
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Method Details
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readSurfaceData
- Throws:
Exception
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getPeriodicVoxels
- Throws:
Exception
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recordData
protected float recordData(float value) -
closeReader
protected void closeReader() -
readVolumeParameters
protected boolean readVolumeParameters(boolean isMapData) - Specified by:
readVolumeParameters
in classSurfaceReader
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readVolumeData
protected boolean readVolumeData(boolean isMapData) - Specified by:
readVolumeData
in classSurfaceReader
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readVolumeDataVFR
protected boolean readVolumeDataVFR(boolean isMapData) -
readParameters
- Throws:
Exception
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skipComments
- Throws:
Exception
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readVoxelVector
- Throws:
Exception
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getJVXLCutoff
protected float getJVXLCutoff() -
readSurfaceDataVFR
- Throws:
Exception
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getPlane
public float[] getPlane(int x) - Specified by:
getPlane
in interfaceVertexDataServer
- Overrides:
getPlane
in classSurfaceReader
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getPlaneNCI
public float[] getPlaneNCI(int x) Retrieve raw file planes and pass them to the calculation object for processing into new data. Bob Hanson hansonr@stolaf.edu 6/7/2011- Parameters:
x
-- Returns:
- plane (for testing)
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getValue
public float getValue(int x, int y, int z, int ptyz) Description copied from interface:VertexDataServer
for readers only- Specified by:
getValue
in interfaceVertexDataServer
- Overrides:
getValue
in classSurfaceReader
- Returns:
- value[x][y][z]
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getVoxelBitSet
- Parameters:
nPoints
-- Returns:
- JVXL bitset
- Throws:
Exception
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getNextVoxelValue
- Throws:
Exception
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nextVoxel
- Throws:
Exception
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gotoData
- Overrides:
gotoData
in classSurfaceReader
- Throws:
Exception
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skipData
- Throws:
Exception
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skipDataVFR
- Throws:
Exception
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checkAtomLine
protected static boolean checkAtomLine(boolean isXLowToHigh, boolean isAngstroms, String strAtomCount, String atomLine, SB bs) checks an atom line for "ANGSTROMS", possibly overriding the data's natural units, BOHR (similar to Gaussian CUBE files).- Parameters:
isXLowToHigh
-isAngstroms
-strAtomCount
-atomLine
-bs
-- Returns:
- isAngstroms
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getSurfacePointAndFraction
protected float getSurfacePointAndFraction(float cutoff, boolean isCutoffAbsolute, float valueA, float valueB, T3 pointA, V3 edgeVector, int x, int y, int z, int vA, int vB, float[] fReturn, T3 ptReturn) - Overrides:
getSurfacePointAndFraction
in classSurfaceReader
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getSPFv
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swapXZ
protected void swapXZ() -
setStream
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setOutputChannel
- Overrides:
setOutputChannel
in classSurfaceReader
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closeReaderSFR
protected void closeReaderSFR() -
getTokens
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parseFloat
protected float parseFloat() -
parseFloatStr
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parseFloatRange
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parseInt
protected int parseInt() -
parseIntStr
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parseIntNext
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parseFloatArrayStr
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parseFloatArray
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getQuotedStringNext
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skipTo
- Throws:
Exception
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rd
- Throws:
Exception
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