125 MTZ *
MtzGet(
const char *logname,
int read_refs);
146 int MtzRrefl(CCP4File *filein,
int ncol,
float *refldata);
154 int MtzPut(
MTZ *mtz,
const char *logname);
172 int MtzWhdrLine(CCP4File *fileout,
int nitems,
char buffer[]);
181 int MtzWrefl(CCP4File *fileout,
int ncol,
float *refldata);
341 const float cell[6]);
419 const float wavelength);
496 const char dataset_name[]);
548 int MtzRJustPath(
char *path,
const char *partial,
const int njust);
584 int MtzListColumn(
const MTZ *mtz,
char clabs[][31],
char ctyps[][3],
int csetid[]);
605 int MtzFindInd(
const MTZ *mtz,
int *ind_xtal,
int *ind_set,
int ind_col[3]);
613 float MtzInd2reso(
const int in[3],
const double coefhkl[6]);
620 int MtzHklcoeffs(
const float cell[6],
double coefhkl[6]);
697 int ccp4_lrsymi(
const MTZ *mtz,
int *nsympx,
char *ltypex,
int *nspgrx,
698 char *spgrnx,
char *pgnamx);
712 char *spgrnx,
char *pgnamx,
char *spgconf);
723 int ccp4_lrsymm(
const MTZ *mtz,
int *nsymx,
float rsymx[192][4][4]);
734 int MtzParseLabin(
char *labin_line,
const char prog_labels[][31],
735 const int nlprgi,
char user_labels[][2][31]);
767 char dataset_name[64],
char project_name[64],
int *isets,
768 float datcell[6],
float *datwave);
785 int ccp4_lrrefl(
const MTZ *mtz,
float *resol,
float adata[],
int logmss[],
int iref);
803 int ccp4_lrreff(
const MTZ *mtz,
float *resol,
float adata[],
int logmss[],
804 const MTZCOL *lookup[],
const int ncols,
const int iref);
888 int ccp4_lwsymm(
MTZ *mtz,
int nsymx,
int nsympx,
float rsymx[192][4][4],
889 char ltypex[],
int nspgrx,
char spgrnx[],
char pgnamx[]);
909 char ltypex[],
int nspgrx,
char spgrnx[],
char pgnamx[],
931 MTZCOL **ccp4_lwassn(
MTZ *mtz,
const char labels[][31],
const int nlabels,
932 const char types[][3],
const int iappnd);
950 int ccp4_lwidx(
MTZ *mtz,
const char crystal_name[],
const char dataset_name[],
951 const char project_name[],
const float datcell[6],
const float *datwave);
972 const int ncol,
const int iref);
987 int ccp4_lwbat(
MTZ *mtz,
MTZBAT *batch,
const int batno,
const float *buf,
const char *charbuf);
989 int ccp4_lwbsetid(
MTZ *mtz,
MTZBAT *batch,
const char xname[],
const char dname[]);
MTZSET * MtzIsetInXtal(const MTZXTAL *xtal, const int iset)
Definition: cmtzlib.c:3664
int MtzParseLabin(char *labin_line, const char prog_labels[][31], const int nlprgi, char user_labels[][2][31])
Definition: cmtzlib.c:1322
int MtzFreeHist(char *hist)
Definition: cmtzlib.c:3441
int ccp4_lwrefl(MTZ *mtz, const float adata[], MTZCOL *lookup[], const int ncol, const int iref)
Definition: cmtzlib.c:2483
int ccp4_lrtitl(const MTZ *mtz, char *title)
Definition: cmtzlib.c:1095
MTZCOL * MtzColLookup(const MTZ *mtz, const char *label)
Definition: cmtzlib.c:3871
int MtzPut(MTZ *mtz, const char *logname)
Definition: cmtzlib.c:2587
int MtzNref(const MTZ *mtz)
Definition: cmtzlib.c:3770
int ccp4_lrsymi_c(const MTZ *mtz, int *nsympx, char *ltypex, int *nspgrx, char *spgrnx, char *pgnamx, char *spgconf)
Definition: cmtzlib.c:1284
MTZSET * MtzSetLookup(const MTZ *mtz, const char *label)
Definition: cmtzlib.c:3893
MTZSET ** MtzSetsInXtal(MTZXTAL *xtal)
Definition: cmtzlib.c:3659
MTZBAT * sort_batches(MTZBAT *batch, int numbat)
Definition: cmtzlib.c:2988
int MtzNset(const MTZ *mtz)
Definition: cmtzlib.c:3727
int MtzNcolsInSet(const MTZSET *set)
Definition: cmtzlib.c:3669
Definition of MTZ data structure.
int ccp4_lrrefl(const MTZ *mtz, float *resol, float adata[], int logmss[], int iref)
Definition: cmtzlib.c:1498
int MtzFreeBatch(MTZBAT *batch)
Definition: cmtzlib.c:3388
MTZCOL ** MtzColsInSet(MTZSET *set)
Definition: cmtzlib.c:3712
MTZSET * MtzColSet(const MTZ *mtz, const MTZCOL *col)
Definition: cmtzlib.c:3597
int MtzBatchToArray(MTZBAT *batch, int *intbuf, float *fltbuf)
Definition: cmtzlib.c:3140
MTZCOL ** ccp4_lrassn(const MTZ *mtz, const char labels[][31], const int nlabels, char types[][3])
Definition: cmtzlib.c:1424
int ccp4_lwtitl(MTZ *mtz, const char *ftitle, int flag)
Definition: cmtzlib.c:2087
int MtzToggleColumn(MTZCOL *col)
Definition: cmtzlib.c:3586
int MtzNumActiveCol(const MTZ *mtz)
Definition: cmtzlib.c:3752
int ccp4_lwsymconf(MTZ *mtz, char spgconf[])
Definition: cmtzlib.c:2273
MTZXTAL * MtzXtalLookup(const MTZ *mtz, const char *label)
Definition: cmtzlib.c:3913
int ccp4_lrbat(MTZBAT *batch, float *buf, char *charbuf, int iprint)
Definition: cmtzlib.c:1934
int MtzNsetsInXtal(const MTZXTAL *xtal)
Definition: cmtzlib.c:3644
int MtzNxtal(const MTZ *mtz)
Definition: cmtzlib.c:3620
int MtzNumSourceCol(const MTZ *mtz)
Definition: cmtzlib.c:3761
int MtzNumSourceColsInSet(const MTZSET *set)
Definition: cmtzlib.c:3683
int MtzPathMatch(const char *path1, const char *path2)
Definition: cmtzlib.c:3852
MTZCOL * MtzMallocCol(MTZ *mtz, int nref)
Definition: cmtzlib.c:3401
int MtzNumActiveSet(const MTZ *mtz)
Definition: cmtzlib.c:3735
int ccp4_lrbats(const MTZ *mtz, int *nbatx, int batchx[])
Definition: cmtzlib.c:1148
MTZCOL * MtzAddColumn(MTZ *mtz, MTZSET *set, const char *label, const char *type)
Definition: cmtzlib.c:3531
int ccp4_lwbat(MTZ *mtz, MTZBAT *batch, const int batno, const float *buf, const char *charbuf)
Definition: cmtzlib.c:2377
int ccp4_lrsymi(const MTZ *mtz, int *nsympx, char *ltypex, int *nspgrx, char *spgrnx, char *pgnamx)
Definition: cmtzlib.c:1277
void MtzDebugHierarchy(const MTZ *mtz)
Definition: cmtzlib.c:1163
int MtzWhdrLine(CCP4File *fileout, int nitems, char buffer[])
Definition: cmtzlib.c:3215
MTZXTAL * MtzIxtal(const MTZ *mtz, const int ixtal)
Definition: cmtzlib.c:3639
int MtzFreeCol(MTZCOL *col)
Definition: cmtzlib.c:3424
int MtzNcol(const MTZ *mtz)
Definition: cmtzlib.c:3743
int MtzDeleteRefl(MTZ *mtz, int iref)
Definition: cmtzlib.c:2466
int MtzListColumn(const MTZ *mtz, char clabs[][31], char ctyps[][3], int csetid[])
Definition: cmtzlib.c:1197
int MtzNbat(const MTZ *mtz)
Definition: cmtzlib.c:3777
int ccp4_lrreff(const MTZ *mtz, float *resol, float adata[], int logmss[], const MTZCOL *lookup[], const int ncols, const int iref)
Definition: cmtzlib.c:1561
MTZ * MtzGet(const char *logname, int read_refs)
Definition: cmtzlib.c:69
MTZXTAL * MtzSetXtal(const MTZ *mtz, const MTZSET *set)
Definition: cmtzlib.c:3609
int MtzRrefl(CCP4File *filein, int ncol, float *refldata)
Definition: cmtzlib.c:981
int MtzFindInd(const MTZ *mtz, int *ind_xtal, int *ind_set, int ind_col[3])
Definition: cmtzlib.c:993
int MtzWrefl(CCP4File *fileout, int ncol, float *refldata)
Definition: cmtzlib.c:3242
MTZCOL * MtzIcolInSet(const MTZSET *set, const int icol)
Definition: cmtzlib.c:3717
#define MTZRECORDLENGTH
Definition: mtzdata.h:42
Definition: mtzdata.h:169
int ccp4_lhprt_adv(const MTZ *mtz, int iprint)
Definition: cmtzlib.c:1880
char * MtzXtalPath(const MTZXTAL *xtal)
Definition: cmtzlib.c:3789
int ccp4_lridx(const MTZ *mtz, const MTZSET *set, char crystal_name[64], char dataset_name[64], char project_name[64], int *isets, float datcell[6], float *datwave)
Definition: cmtzlib.c:1472
int ccp4_ismnf(const MTZ *mtz, const float datum)
Definition: cmtzlib.c:1651
MTZSET * MtzAddDataset(MTZ *mtz, MTZXTAL *xtl, const char *dname, const float wavelength)
Definition: cmtzlib.c:3488
int MtzNumActiveColsInSet(const MTZSET *set)
Definition: cmtzlib.c:3674
MTZ * MtzMalloc(int nxtal, int nset[])
Definition: cmtzlib.c:3252
int MtzSpacegroupNumber(const MTZ *mtz)
Definition: cmtzlib.c:1299
int ccp4_lrsymm(const MTZ *mtz, int *nsymx, float rsymx[192][4][4])
Definition: cmtzlib.c:1306
float MtzInd2reso(const int in[3], const double coefhkl[6])
Definition: cmtzlib.c:1024
char * MtzCallocHist(int nhist)
Definition: cmtzlib.c:3431
int MtzNbatchesInSet(const MTZ *mtz, const MTZSET *set)
Definition: cmtzlib.c:3692
int MtzPrintBatchHeader(const MTZBAT *batch)
Definition: cmtzlib.c:1961
int MtzResLimits(const MTZ *mtz, float *minres, float *maxres)
Definition: cmtzlib.c:1262
int MtzAssignHKLtoBase(MTZ *mtz)
Definition: cmtzlib.c:2194
int MtzRJustPath(char *path, const char *partial, const int njust)
Definition: cmtzlib.c:3837
MTZBAT * MtzMallocBatch(void)
Definition: cmtzlib.c:3371
int MtzHklcoeffs(const float cell[6], double coefhkl[6])
Definition: cmtzlib.c:1041
int MtzAssignColumn(MTZ *mtz, MTZCOL *col, const char crystal_name[], const char dataset_name[])
Definition: cmtzlib.c:2221
int MtzAddHistory(MTZ *mtz, const char history[][MTZRECORDLENGTH], const int nlines)
Definition: cmtzlib.c:2129
int MtzSetSortOrder(MTZ *mtz, MTZCOL *colsort[5])
Definition: cmtzlib.c:2119
CCP4File * MtzOpenForWrite(const char *logname)
Definition: cmtzlib.c:3097
int MtzFree(MTZ *mtz)
Definition: cmtzlib.c:3321
int ccp4_lrcell(const MTZXTAL *xtl, float cell[])
Definition: cmtzlib.c:1251
int MtzListInputColumn(const MTZ *mtz, char clabs[][31], char ctyps[][3], int csetid[])
Definition: cmtzlib.c:1224
int ccp4_lrhist(const MTZ *mtz, char history[][MTZRECORDLENGTH], int nlines)
Definition: cmtzlib.c:1107
MTZ * MtzGetUserCellTolerance(const char *logname, int read_refs, const double cell_tolerance)
Definition: cmtzlib.c:74
MTZXTAL ** MtzXtals(MTZ *mtz)
Definition: cmtzlib.c:3634
int MtzNumActiveSetsInXtal(const MTZ *mtz, const MTZXTAL *xtal)
Definition: cmtzlib.c:3649
char * MtzColType(MTZCOL *col)
Definition: cmtzlib.c:3722
int ccp4_lwsymm(MTZ *mtz, int nsymx, int nsympx, float rsymx[192][4][4], char ltypex[], int nspgrx, char spgrnx[], char pgnamx[])
Definition: cmtzlib.c:2280
int ccp4_lrsort(const MTZ *mtz, int isort[5])
Definition: cmtzlib.c:1123
int ccp4_lhprt(const MTZ *mtz, int iprint)
Definition: cmtzlib.c:1662
int MtzArrayToBatch(const int *intbuf, const float *fltbuf, MTZBAT *batch)
Definition: cmtzlib.c:913
int ccp4_lwsymm_c(MTZ *mtz, int nsymx, int nsympx, float rsymx[192][4][4], char ltypex[], int nspgrx, char spgrnx[], char pgnamx[], char spgconf[])
Definition: cmtzlib.c:2291
int MtzNumActiveXtal(const MTZ *mtz)
Definition: cmtzlib.c:3625
char * MtzColPath(const MTZ *mtz, const MTZCOL *col)
Definition: cmtzlib.c:3820
struct _CFileStruct CCP4File
Definition: library_file.h:38
MTZXTAL * MtzAddXtal(MTZ *mtz, const char *xname, const char *pname, const float cell[6])
Definition: cmtzlib.c:3450
void MtzMemTidy(void)
Definition: cmtzlib_f.c:107
void MtzRewdInput(MTZ *mtz)
Definition: cmtzlib.c:1643
char * MtzSetPath(const MTZ *mtz, const MTZSET *set)
Definition: cmtzlib.c:3803