public class MSCifRdr extends MSRdr
Modifier and Type | Field and Description |
---|---|
private javajs.util.M3 |
comSSMat |
private static int |
DEPR_FD_COS |
private static int |
DEPR_FD_SIN |
private static int |
DEPR_FO_COS |
private static int |
DEPR_FO_SIN |
private static int |
DEPR_FU_COS |
private static int |
DEPR_FU_SIN |
private static int |
DISP_SAW_AX |
private static int |
DISP_SAW_AY |
private static int |
DISP_SAW_AZ |
private static int |
DISP_SAW_C |
private static int |
DISP_SAW_W |
private static int |
DISP_SPEC_LABEL |
private static int |
FD_ID |
private static int |
FDP_ID |
private java.lang.String |
field |
private static int |
FO_ID |
private static int |
FOP_ID |
private static int |
FU_ID |
private static int |
FUP_ID |
private static int |
FWV_DISP_AXIS |
private static int |
FWV_DISP_COS |
private static int |
FWV_DISP_LABEL |
private static int |
FWV_DISP_MODULUS |
private static int |
FWV_DISP_PHASE |
private static int |
FWV_DISP_SEQ_ID |
private static int |
FWV_DISP_SIN |
private static int |
FWV_ID |
private static int |
FWV_OCC_COS |
private static int |
FWV_OCC_LABEL |
private static int |
FWV_OCC_MODULUS |
private static int |
FWV_OCC_PHASE |
private static int |
FWV_OCC_SEQ_ID |
private static int |
FWV_OCC_SIN |
private static int |
FWV_SPIN_AXIS |
private static int |
FWV_SPIN_COS |
private static int |
FWV_SPIN_LABEL |
private static int |
FWV_SPIN_MODULUS |
private static int |
FWV_SPIN_PHASE |
private static int |
FWV_SPIN_SEQ_ID |
private static int |
FWV_SPIN_SIN |
private static int |
FWV_U_COS |
private static int |
FWV_U_LABEL |
private static int |
FWV_U_MODULUS |
private static int |
FWV_U_PHASE |
private static int |
FWV_U_SEQ_ID |
private static int |
FWV_U_SIN |
private static int |
FWV_U_TENS |
private static int |
FWV_X |
private static int |
FWV_Y |
private static int |
FWV_Z |
private static int |
JANA_FWV_Q1_COEF |
private static int |
JANA_FWV_Q2_COEF |
private static int |
JANA_FWV_Q3_COEF |
private static int |
JANA_OCC_ABS_LABEL |
private static int |
JANA_OCC_ABS_O_0 |
private static int |
LEG_DISP_AXIS |
private static int |
LEG_DISP_COEF |
private static int |
LEG_DISP_LABEL |
private static int |
LEG_DISP_ORDER |
private static int |
LEG_OCC_COEF |
private static int |
LEG_OCC_LABEL |
private static int |
LEG_OCC_ORDER |
private static int |
LEG_U_COEF |
private static int |
LEG_U_LABEL |
private static int |
LEG_U_ORDER |
private static int |
LEG_U_TENS |
private static java.lang.String[] |
modulationFields |
private static int |
NONE |
private static int |
OCC_CRENEL_C |
private static int |
OCC_CRENEL_W |
private static int |
OCC_SPECIAL_LABEL |
private static int |
SPIN_SAW_AX |
private static int |
SPIN_SAW_AY |
private static int |
SPIN_SAW_AZ |
private static int |
SPIN_SAW_C |
private static int |
SPIN_SAW_W |
private static int |
SPIN_SPEC_LABEL |
private static int |
WV_ID |
private static int |
WV_X |
private static int |
WV_Y |
private static int |
WV_Z |
commensurateSection1, cr, htSubsystems, isCommensurate, modAverage, modAxes, modDim
Constructor and Description |
---|
MSCifRdr() |
Modifier and Type | Method and Description |
---|---|
private void |
addMod(java.lang.String id,
java.lang.String fid,
double[] params) |
private int |
fieldProperty(CifReader cr,
int i) |
private javajs.util.Matrix |
getSparseMatrix(CifReader cr,
java.lang.String term,
int i,
int dim) |
void |
processEntry() |
int |
processLoopBlock()
creates entries in htModulation with a key of the form:
type_id_axis;atomLabel@model
where type = W|F|D|O (wave vector, Fourier index, displacement, occupancy);
id = 1|2|3|0|S (Fourier index, Crenel(0), sawtooth); axis (optional) =
0|x|y|z (0 indicates irrelevant -- occupancy); and ;atomLabel is only for D
and O.
|
private int |
processSubsystemLoopBlock() |
addLatticeVector, addModulation, addSubsystem, finalizeModulation, getAtomSymmetry, getMod, getModType, getModulationMap, getQCoefs, getSigma, getSymmetryFromCode, initialize, setMinMax0, setModDim, setModulation
private java.lang.String field
private static final int FWV_ID
private static final int WV_ID
private static final int WV_X
private static final int WV_Y
private static final int WV_Z
private static final int FWV_X
private static final int FWV_Y
private static final int FWV_Z
private static final int JANA_FWV_Q1_COEF
private static final int JANA_FWV_Q2_COEF
private static final int JANA_FWV_Q3_COEF
private static final int FWV_DISP_LABEL
private static final int FWV_DISP_AXIS
private static final int FWV_DISP_SEQ_ID
private static final int FWV_DISP_COS
private static final int FWV_DISP_SIN
private static final int FWV_DISP_MODULUS
private static final int FWV_DISP_PHASE
private static final int DISP_SPEC_LABEL
private static final int DISP_SAW_AX
private static final int DISP_SAW_AY
private static final int DISP_SAW_AZ
private static final int DISP_SAW_C
private static final int DISP_SAW_W
private static final int FWV_OCC_LABEL
private static final int FWV_OCC_SEQ_ID
private static final int FWV_OCC_COS
private static final int FWV_OCC_SIN
private static final int FWV_OCC_MODULUS
private static final int FWV_OCC_PHASE
private static final int OCC_SPECIAL_LABEL
private static final int OCC_CRENEL_C
private static final int OCC_CRENEL_W
private static final int FWV_U_LABEL
private static final int FWV_U_TENS
private static final int FWV_U_SEQ_ID
private static final int FWV_U_COS
private static final int FWV_U_SIN
private static final int FWV_U_MODULUS
private static final int FWV_U_PHASE
private static final int FD_ID
private static final int FO_ID
private static final int FU_ID
private static final int FDP_ID
private static final int FOP_ID
private static final int FUP_ID
private static final int JANA_OCC_ABS_LABEL
private static final int JANA_OCC_ABS_O_0
private static final int FWV_SPIN_LABEL
private static final int FWV_SPIN_AXIS
private static final int FWV_SPIN_SEQ_ID
private static final int FWV_SPIN_COS
private static final int FWV_SPIN_SIN
private static final int FWV_SPIN_MODULUS
private static final int FWV_SPIN_PHASE
private static final int SPIN_SPEC_LABEL
private static final int SPIN_SAW_AX
private static final int SPIN_SAW_AY
private static final int SPIN_SAW_AZ
private static final int SPIN_SAW_C
private static final int SPIN_SAW_W
private static final int LEG_DISP_LABEL
private static final int LEG_DISP_AXIS
private static final int LEG_DISP_ORDER
private static final int LEG_DISP_COEF
private static final int LEG_U_LABEL
private static final int LEG_U_TENS
private static final int LEG_U_ORDER
private static final int LEG_U_COEF
private static final int LEG_OCC_LABEL
private static final int LEG_OCC_ORDER
private static final int LEG_OCC_COEF
private static final int DEPR_FD_COS
private static final int DEPR_FD_SIN
private static final int DEPR_FO_COS
private static final int DEPR_FO_SIN
private static final int DEPR_FU_COS
private static final int DEPR_FU_SIN
private static final java.lang.String[] modulationFields
private static final int NONE
private javajs.util.M3 comSSMat
public void processEntry() throws java.lang.Exception
java.lang.Exception
public int processLoopBlock() throws java.lang.Exception
java.lang.Exception
private void addMod(java.lang.String id, java.lang.String fid, double[] params)
private int processSubsystemLoopBlock() throws java.lang.Exception
java.lang.Exception
private javajs.util.Matrix getSparseMatrix(CifReader cr, java.lang.String term, int i, int dim)
private int fieldProperty(CifReader cr, int i)