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 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 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(String id,
String fid,
double[] params) |
private int |
fieldProperty(CifReader cr,
int i) |
private javajs.util.Matrix |
getSparseMatrix(CifReader cr,
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 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 String[] modulationFields
private static final int NONE
private javajs.util.M3 comSSMat
public int processLoopBlock() throws Exception
Exception
private int processSubsystemLoopBlock() throws Exception
Exception
private javajs.util.Matrix getSparseMatrix(CifReader cr, String term, int i, int dim)
private int fieldProperty(CifReader cr, int i)