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- Fixed sign problems with om in tasub

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- Mended tasdrive to drive energy even if Q is askew
- Fixed QM values
- Fixed problems in mesure: om2th, wrong theta selection
- Fixed core dump when driving h,kl, failed
This commit is contained in:
koennecke
2005-06-09 12:04:38 +00:00
parent f33ca7b0d7
commit 3a0b4f293c
16 changed files with 1899 additions and 116 deletions
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251
tasub.c
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@ -53,6 +53,7 @@ static void saveReflections(ptasUB self, char *name, FILE *fd){
/*-------------------------------------------------------------------*/
static int tasUBSave(void *pData, char *name, FILE *fd){
ptasUB self = (ptasUB)pData;
tasReflection r;
if(self == NULL){
return 0;
@ -83,8 +84,16 @@ static int tasUBSave(void *pData, char *name, FILE *fd){
name,
self->target.qh, self->target.qk, self->target.ql, self->target.qm,
self->target.ki, self->target.kf);
fprintf(fd,"%s setidx %d %d\n",
name, self->r1, self->r2);
r = self->r1;
fprintf(fd,"%s r1 %6.2f %6.2f %6.2f %6.2f %6.2f %6.2f %6.2f %6.2f %6.2f\n",
name, r.qe.qh, r.qe.qk, r.qe.ql, r.angles.a3, r.angles.sample_two_theta,
r.angles.sgu, r.angles.sgl,
KtoEnergy(r.qe.ki), KtoEnergy(r.qe.kf));
r = self->r2;
fprintf(fd,"%s r2 %6.2f %6.2f %6.2f %6.2f %6.2f %6.2f %6.2f %6.2f %6.2f\n",
name, r.qe.qh, r.qe.qk, r.qe.ql, r.angles.a3, r.angles.sample_two_theta,
r.angles.sgu, r.angles.sgl,
KtoEnergy(r.qe.ki), KtoEnergy(r.qe.kf));
fprintf(fd,"%s update\n", name);
return 1;
}
@ -455,6 +464,8 @@ static int tasReadCell(SConnection *pCon, ptasUB self, int argc, char *argv[]){
SCWrite(pCon,pBueffel,eError);
return 0;
}
self->ubValid = 0;
SCWrite(pCon,"WARNING: UB is now invalid",eWarning);
SCparChange(pCon);
SCSendOK(pCon);
return 1;
@ -477,8 +488,7 @@ static void clearReflections(ptasUB self){
LLDnodeDelete(self->reflectionList);
status = LLDnodePtr2Next(self->reflectionList);
}
self->r1 = -1;
self->r2 = -1;
self->ubValid = 0;
}
/*------------------------------------------------------------------*/
static void listReflections(ptasUB self, SConnection *pCon){
@ -621,6 +631,84 @@ static int addReflection(ptasUB self, SicsInterp *pSics,
SCparChange(pCon);
return 1;
}
/*------------------------------------------------------------------------------*/
static int readReflection(SConnection *pCon, SicsInterp *pSics,
ptasReflection res,
int argc, char *argv[]){
tasReflection r;
int status;
char pBueffel[256];
if(!SCMatchRights(pCon,usUser)){
return 0;
}
if(argc < 11){
SCWrite(pCon,"ERROR: not enough parameters to read reflection",eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[2],&r.qe.qh);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[2]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[3],&r.qe.qk);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[3]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[4],&r.qe.ql);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[4]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[5],&r.angles.a3);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[5]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[6],&r.angles.sample_two_theta);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[6]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[7],&r.angles.sgu);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[7]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[8],&r.angles.sgl);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[8]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[9],&r.qe.ki);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[9]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
r.qe.ki = energyToK(r.qe.ki);
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[10],&r.qe.kf);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[10]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
r.qe.kf = energyToK(r.qe.kf);
if(ABS(r.qe.ki - r.qe.kf) > .01) {
SCWrite(pCon,"WARNING: KI != KF!",eWarning);
}
*res = r;
return 1;
}
/*-----------------------------------------------------------------*/
int findReflection(int list, int idx, ptasReflection r){
int count = 0;
@ -642,7 +730,7 @@ static void listUB(ptasUB self , SConnection *pCon){
Tcl_DString list;
char pBueffel[255];
int i;
tasReflection r;
Tcl_DStringInit(&list);
if(self->machine.UB == NULL){
@ -658,9 +746,32 @@ static void listUB(ptasUB self , SConnection *pCon){
Tcl_DStringAppend(&list,pBueffel,-1);
}
}
snprintf(pBueffel,255,"UB generated from reflections %d and %d in list\n",
self->r1, self->r2);
snprintf(pBueffel,255,"UB generated from reflections:\n");
Tcl_DStringAppend(&list,pBueffel,-1);
snprintf(pBueffel,255,
" QH QK QL A3 A4 SGU SGL EI EF\n");
Tcl_DStringAppend(&list,pBueffel,-1);
r = self->r1;
snprintf(pBueffel,255,
" %8.4f %8.4f %8.4f %7.2f %7.2f %6.2f %6.2f %6.2f %6.2f\n",
r.qe.qh, r.qe.qk, r.qe.ql, r.angles.a3,
r.angles.sample_two_theta, r.angles.sgu, r.angles.sgl,
KtoEnergy(r.qe.ki), KtoEnergy(r.qe.kf));
Tcl_DStringAppend(&list,pBueffel,-1);
r = self->r2;
snprintf(pBueffel,255,
" %8.4f %8.4f %8.4f %7.2f %7.2f %6.2f %6.2f %6.2f %6.2f\n",
r.qe.qh, r.qe.qk, r.qe.ql, r.angles.a3,
r.angles.sample_two_theta, r.angles.sgu, r.angles.sgl,
KtoEnergy(r.qe.ki), KtoEnergy(r.qe.kf));
Tcl_DStringAppend(&list,pBueffel,-1);
snprintf(pBueffel,255,"Plane Normal: %8.4f %8.4f %8.4f\n",
self->machine.planeNormal[0][0], self->machine.planeNormal[1][0],
self->machine.planeNormal[2][0]);
Tcl_DStringAppend(&list,pBueffel,-1);
if(self->ubValid == 0){
Tcl_DStringAppend(&list,"WARNING: UB matrix is invalid\n",-1);
}
SCWrite(pCon,Tcl_DStringValue(&list),eValue);
Tcl_DStringFree(&list);
}
@ -723,7 +834,7 @@ static void listDiagnostik(ptasUB self, SConnection *pCon){
/*------------------------------------------------------------------*/
static int calcUB(ptasUB self, SConnection *pCon, SicsInterp *pSics,
int argc, char *argv[]){
int idx, status;
int idx1, idx2, status;
tasReflection r1, r2;
char pBueffel[256];
MATRIX UB = NULL;
@ -739,32 +850,32 @@ static int calcUB(ptasUB self, SConnection *pCon, SicsInterp *pSics,
return 0;
}
status = Tcl_GetInt(InterpGetTcl(pSics),argv[2],&idx);
status = Tcl_GetInt(InterpGetTcl(pSics),argv[2],&idx1);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[2]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = findReflection(self->reflectionList, idx-1,&r1);
idx1--;
status = findReflection(self->reflectionList, idx1,&r1);
if(status != 1){
snprintf(pBueffel,255,"ERROR: cannot find reflection with index %d",idx);
snprintf(pBueffel,255,"ERROR: cannot find reflection with index %d",idx1+1);
SCWrite(pCon,pBueffel,eError);
return 0;
}
self->r1 = idx;
status = Tcl_GetInt(InterpGetTcl(pSics),argv[3],&idx);
status = Tcl_GetInt(InterpGetTcl(pSics),argv[3],&idx2);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[3]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = findReflection(self->reflectionList, idx-1,&r2);
idx2--;
status = findReflection(self->reflectionList, idx2,&r2);
if(status != 1){
snprintf(pBueffel,255,"ERROR: cannot find reflection with index %d",idx);
snprintf(pBueffel,255,"ERROR: cannot find reflection with index %d",idx2+1);
SCWrite(pCon,pBueffel,eError);
return 0;
}
self->r2 = idx;
UB = calcTasUBFromTwoReflections(self->cell,r1,r2,&status);
if(UB == NULL){
@ -778,6 +889,10 @@ static int calcUB(ptasUB self, SConnection *pCon, SicsInterp *pSics,
}
return 0;
}
if(mat_det(UB) < .000001){
SCWrite(pCon,"ERROR: invalid UB matrix, check reflections",eError);
return 0;
}
if(self->machine.UB != NULL){
mat_free(self->machine.UB);
}
@ -786,6 +901,9 @@ static int calcUB(ptasUB self, SConnection *pCon, SicsInterp *pSics,
}
self->machine.UB = UB;
self->machine.planeNormal = calcPlaneNormal(r1,r2);
self->r1 = r1;
self->r2 = r2;
self->ubValid = 1;
listUB(self,pCon);
listDiagnostik(self,pCon);
SCparChange(pCon);
@ -866,6 +984,74 @@ static int calcRefAngles(ptasUB self, SConnection *pCon,
return 1;
}
/*------------------------------------------------------------------*/
static int calcQFromAngles(ptasUB self, SConnection *pCon,
SicsInterp *pSics,
int argc, char *argv[]){
tasQEPosition q;
tasAngles angles;
char pBueffel[256];
int status;
if(argc < 8){
SCWrite(pCon,"ERROR: need a2, a3, a4, sgu, sgl, a6 for calculation",
eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[2],
&angles.monochromator_two_theta);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[2]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[3],&angles.a3);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[3]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[4],&angles.sample_two_theta);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[4]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[5],&angles.sgu);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[5]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[6],&angles.sgl);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[6]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = Tcl_GetDouble(InterpGetTcl(pSics),argv[7],&angles.analyzer_two_theta);
if(status != TCL_OK){
snprintf(pBueffel,255,"ERROR: failed to convert %s to number",argv[7]);
SCWrite(pCon,pBueffel,eError);
return 0;
}
status = calcTasQEPosition(&self->machine,angles,&q);
switch(status){
case UBNOMEMORY:
SCWrite(pCon,"ERROR: Out of memory calculating angles",eError);
return 0;
break;
}
snprintf(pBueffel,255,"%8.4f %8.4f %8.4f %8.4f %8.4f",
q.qh,
q.qk,
q.ql,
KtoEnergy(q.ki),
KtoEnergy(q.kf));
SCWrite(pCon,pBueffel,eValue);
return 1;
}
/*------------------------------------------------------------------*/
static int setUB(SConnection *pCon, SicsInterp *pSics, ptasUB self,
int argc, char *argv[]){
double value;
@ -953,28 +1139,13 @@ static int setUB(SConnection *pCon, SicsInterp *pSics, ptasUB self,
return 0;
}
self->machine.UB[2][2] = value;
self->ubValid = 1;
SCSendOK(pCon);
SCparChange(pCon);
return 1;
}
/*------------------------------------------------------------------*/
static int setIDX(SConnection *pCon, SicsInterp *pSics, ptasUB self,
int argc, char *argv[]){
if(argc < 4) {
SCWrite(pCon,"ERROR: not enough arguments to setidx", eError);
return 0;
}
if(!SCMatchRights(pCon,usMugger)){
return 0;
}
self->r1 = atoi(argv[2]);
self->r2 = atoi(argv[3]);
SCSendOK(pCon);
return 1;
}
/*------------------------------------------------------------------*/
static int setNormal(SConnection *pCon, SicsInterp *pSics, ptasUB self,
int argc, char *argv[]){
double value;
@ -1114,11 +1285,6 @@ static int deleteReflection(SConnection *pCon, SicsInterp *pSics,
SCWrite(pCon,pBueffel,eError);
return 0;
}
if(idx == self->r1 || idx == self->r2) {
SCWrite(pCon,"ERROR: I refuse to delete reflections used for current UB",
eError);
return 0;
}
idx--;
status = LLDnodePtr2First(self->reflectionList);
while(status == 1){
@ -1162,6 +1328,7 @@ int TasUBWrapper(SConnection *pCon,SicsInterp *pSics, void *pData,
} else if(strcmp(argv[1],"clear") == 0){
clearReflections(self);
clearReflections(self);
SCWrite(pCon,"WARNING: UB is now invalid",eWarning);
SCSendOK(pCon);
return 1;
} else if(strcmp(argv[1],"listref") == 0){
@ -1174,20 +1341,24 @@ int TasUBWrapper(SConnection *pCon,SicsInterp *pSics, void *pData,
return 1;
} else if(strcmp(argv[1],"makeub") == 0){
return calcUB(self,pCon,pSics,argc,argv);
} else if(strcmp(argv[1],"calcref") == 0){
} else if(strcmp(argv[1],"calcang") == 0){
return calcRefAngles(self,pCon,pSics,argc,argv);
} else if(strcmp(argv[1],"calcqe") == 0){
return calcQFromAngles(self,pCon,pSics,argc,argv);
} else if(strcmp(argv[1],"setub") == 0){
return setUB(pCon,pSics,self,argc,argv);
} else if(strcmp(argv[1],"setnormal") == 0){
return setNormal(pCon,pSics,self,argc,argv);
} else if(strcmp(argv[1],"setidx") == 0){
return setIDX(pCon,pSics,self,argc,argv);
} else if(strcmp(argv[1],"settarget") == 0){
return setTarget(pCon,pSics,self,argc,argv);
} else if(strcmp(argv[1],"update") == 0){
return tasUpdate(pCon,self);
} else if(strcmp(argv[1],"del") == 0){
return deleteReflection(pCon,pSics,self,argc,argv);
} else if(strcmp(argv[1],"r1") == 0){
return readReflection(pCon,pSics,&self->r1,argc,argv);
} else if(strcmp(argv[1],"r2") == 0){
return readReflection(pCon,pSics,&self->r2,argc,argv);
} else if(strcmp(argv[1],"const") == 0){
if(argc > 2){
strtolower(argv[2]);