Package org.jmol.quantum
Class QS
- java.lang.Object
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- org.jmol.quantum.QS
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public class QS extends java.lang.Object
Constants and static methods for quantum shells.
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Field Summary
Fields Modifier and Type Field Description static java.lang.String
CANONICAL_DC_LIST
static java.lang.String
CANONICAL_DS_LIST
static java.lang.String
CANONICAL_FC_LIST
static java.lang.String
CANONICAL_FS_LIST
static int
DC
static int
DS
static int
FC
static int
FS
static int
GC
static int
GS
static int
HC
static int
HS
static int
IC
static int[]
idSpherical
static int
IS
static int
MAX_TYPE_SUPPORTED
private static int
MAXID
static int
P
static int
S
static int
SP
static java.lang.String[]
tags
static java.lang.String[]
tags2
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Constructor Summary
Constructors Constructor Description QS()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static boolean
createDFMap(int[] map, java.lang.String fileList, java.lang.String jmolList, int minLength)
static int
getItem(int i)
static java.lang.String
getMOString(float[] lc)
static int[][]
getNewDfCoefMap()
private static int
getQuantumShell(java.lang.String tag)
static java.lang.String
getQuantumShellTag(int id)
static int
getQuantumShellTagID(java.lang.String tag)
static int
getQuantumShellTagIDSpherical(java.lang.String tag)
static boolean
isQuantumBasisSupported(char ch)
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Field Detail
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S
public static final int S
- See Also:
- Constant Field Values
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P
public static final int P
- See Also:
- Constant Field Values
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SP
public static final int SP
- See Also:
- Constant Field Values
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DS
public static final int DS
- See Also:
- Constant Field Values
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DC
public static final int DC
- See Also:
- Constant Field Values
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FS
public static final int FS
- See Also:
- Constant Field Values
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FC
public static final int FC
- See Also:
- Constant Field Values
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GS
public static final int GS
- See Also:
- Constant Field Values
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GC
public static final int GC
- See Also:
- Constant Field Values
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HS
public static final int HS
- See Also:
- Constant Field Values
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HC
public static final int HC
- See Also:
- Constant Field Values
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IS
public static final int IS
- See Also:
- Constant Field Values
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IC
public static final int IC
- See Also:
- Constant Field Values
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MAX_TYPE_SUPPORTED
public static int MAX_TYPE_SUPPORTED
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MAXID
private static final int MAXID
- See Also:
- Constant Field Values
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idSpherical
public static final int[] idSpherical
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tags
public static final java.lang.String[] tags
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tags2
public static final java.lang.String[] tags2
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CANONICAL_DC_LIST
public static final java.lang.String CANONICAL_DC_LIST
- See Also:
- Constant Field Values
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CANONICAL_DS_LIST
public static final java.lang.String CANONICAL_DS_LIST
- See Also:
- Constant Field Values
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CANONICAL_FC_LIST
public static final java.lang.String CANONICAL_FC_LIST
- See Also:
- Constant Field Values
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CANONICAL_FS_LIST
public static final java.lang.String CANONICAL_FS_LIST
- See Also:
- Constant Field Values
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Method Detail
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isQuantumBasisSupported
public static boolean isQuantumBasisSupported(char ch)
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getNewDfCoefMap
public static int[][] getNewDfCoefMap()
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getItem
public static int getItem(int i)
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getQuantumShellTagID
public static int getQuantumShellTagID(java.lang.String tag)
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getQuantumShell
private static int getQuantumShell(java.lang.String tag)
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getQuantumShellTagIDSpherical
public static final int getQuantumShellTagIDSpherical(java.lang.String tag)
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getQuantumShellTag
public static final java.lang.String getQuantumShellTag(int id)
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getMOString
public static final java.lang.String getMOString(float[] lc)
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createDFMap
public static boolean createDFMap(int[] map, java.lang.String fileList, java.lang.String jmolList, int minLength)
- Parameters:
map
- map to fillfileList
- reader-dependent listjmolList
- Jmol's reordering of that listminLength
- minimum token length so that "G 0" is not taken as two token -- depends upon reader- Returns:
- true if successful
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