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- Reworked mesure for four circle to new specifications

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* reworked table
  * added psd mode
- exe now allows absolute paths
- added getRS232Timeout to rs232controller
- Fixed a couple of "guessed" return values
This commit is contained in:
koennecke
2005-03-16 07:58:52 +00:00
parent 5cd7d30d62
commit b8fea0bc38
16 changed files with 331 additions and 2633 deletions
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203
mesure.c
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@@ -74,6 +74,7 @@
remeasured */
int fastScan; /* flag for using fastscans for scanning reflections */
int psiMode; /* 1 for psi scan mode, 0 else */
int psd; /* a flag for making 2D detector scans */
int stepTable; /* mapping of two theta ranges to step width and
variable to scan */
} Mesure;
@@ -96,6 +97,7 @@ static int SaveMesure(void *pData, char *name, FILE *fd)
fprintf(fd,"%s step %f\n", name, self->fStep);
fprintf(fd,"%s weakthreshold %ld\n", name, self->weakThreshold);
fprintf(fd,"%s compact %d\n", name, self->iCompact);
fprintf(fd,"%s psd %d\n", name, self->psd);
fprintf(fd,"%s weak %d\n", name, self->weak);
fprintf(fd,"%s fastscan %d\n", name, self->fastScan);
SaveFourCircleTable(self->stepTable,name,fd);
@@ -127,6 +129,8 @@ static void ListMesure(pMesure self, char *name, SConnection *pCon)
Tcl_DStringAppend(&list,pBuffer,-1);
snprintf(pBuffer,131,"%s.compact %d\n", name, self->iCompact);
Tcl_DStringAppend(&list,pBuffer,-1);
snprintf(pBuffer,131,"%s.psd %d\n", name, self->psd);
Tcl_DStringAppend(&list,pBuffer,-1);
snprintf(pBuffer,131,"%s.weak %d\n", name, self->weak);
Tcl_DStringAppend(&list,pBuffer,-1);
snprintf(pBuffer,131,"%s.fastscan %d\n", name, self->fastScan);
@@ -177,7 +181,8 @@ static void ListMesure(pMesure self, char *name, SConnection *pCon)
pNew->fStep = 0.05;
pNew->fPreset = 2;
pNew->iCompact = 1;
pNew->weak = 0;
pNew->psd = 0;
pNew->weak = 0;
pNew->weakThreshold = 99999;
pNew->fastScan = 0;
pNew->psiMode = 0;
@@ -395,6 +400,16 @@ static void ListMesure(pMesure self, char *name, SConnection *pCon)
return 1;
}
/*------------------------------------------------------------------------*/
static int getMesureNP(pMesure self, double twoTheta)
{
int np;
np = GetFourCircleScanNP(self->stepTable,twoTheta);
if(np < -800){
np = self->np;
}
return np;
}
/*-------------------------------------------------------------------------
This is slightly tricky: the crystallography module has a scan tolerance.
This is supposed to be automatically set. In order to do so, I need
@@ -406,7 +421,7 @@ static void ListMesure(pMesure self, char *name, SConnection *pCon)
static int MesureCalculateSettings(pMesure self, float fHKL[3], float fSet[4],
float fPsi, SConnection *pCon)
{
int status;
int status, np;
float step, tolerance;
SetHKLScanTolerance(self->pCryst,.0);
@@ -419,7 +434,8 @@ static int MesureCalculateSettings(pMesure self, float fHKL[3], float fSet[4],
if(step < -900.){
step = self->fStep;
}
tolerance = (step * (float)self->np)/2. + .2;
np = getMesureNP(self,(double)fSet[0]);
tolerance = (step * (float)np)/2. + .2;
SetHKLScanTolerance(self->pCryst,tolerance);
return CalculateSettings(self->pCryst,fHKL,fPsi,0,fSet,pCon);
}
@@ -481,19 +497,21 @@ static int DriveToReflection(pMesure self, float fSet[4], SConnection *pCon)
/*-----------------------------------------------------------------------
test if this scan has to be remeasured because it is weak
------------------------------------------------------------------------*/
int weakScan(pMesure self)
int weakScan(pMesure self, double twoTheta)
{
int i;
int i, np;
long low = 99999, high = -99999;
/*
ths scan is always OK if we do not test for weak conditions
the scan is always OK if we do not test for weak conditions or we are in psd mode
*/
if(self->weak == 0){
if(self->weak == 0 || self->psd == 1){
return 0;
}
GetScanCounts(self->pScanner,self->lCounts,self->np);
for(i = 0; i < self->np; i++)
np = getMesureNP(self,twoTheta);
GetScanCounts(self->pScanner,self->lCounts,np);
for(i = 0; i < np; i++)
{
if(self->lCounts[i] < low)
{
@@ -517,11 +535,43 @@ int weakScan(pMesure self)
return 1;
}
}
/*-----------------------------------------------------------------------*/
static int PerformPSDScan(pMesure self, char *scanVar, float fStart, float step, int np)
{
int status;
char pCommand[1024];
char countMode[20];
Tcl_Interp *pTcl;
/*
PSD scans are done by calling the routine Tcl procedure tricsscan with the
appropriate parameters. tricsscan does only omega scans!
*/
if(self->CountMode == eTimer)
{
strcpy(countMode,"timer");
}
else
{
strcpy(countMode,"monitor");
}
snprintf(pCommand,1023,"tricsscan %f %f %d %s %f", fStart, step, np,countMode,self->fPreset);
pTcl = InterpGetTcl(pServ->pSics);
status = Tcl_Eval(pTcl,pCommand);
if(status != TCL_OK)
{
return 0;
}
else
{
return 1;
}
}
/*------------------------------------------------------------------------*/
static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
{
float fStart, stepWidth;
int iRet;
int iRet, np;
char pBueffel[132];
char *scanVar = NULL;
@@ -540,21 +590,54 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
} else {
stepWidth = GetFourCircleStep(self->stepTable,(double)twoTheta);
}
np = getMesureNP(self,(double)twoTheta);
if(stepWidth != self->fStep)
{
snprintf(pBueffel,130,"Using stepwidth %f",stepWidth);
snprintf(pBueffel,130,"Using stepwidth %f, %d points",stepWidth,np);
SCWrite(pCon,pBueffel,eWarning);
}
fStart -= (self->np/2)*stepWidth;
fStart -= (np/2)*stepWidth;
/* set the scan up */
/*
spcial case: psd mode
*/
if(self->psd == 1)
{
iRet = PerformPSDScan(self,scanVar,fStart, stepWidth, np);
free(scanVar);
return iRet;
}
/*
below is the code for a single counter scan.
TODO: (maybe) make this clearer and separte this into another subroutine
Set the scan up
*/
ClearScanVar(self->pScanner);
AddScanVar(self->pScanner, pServ->pSics,pCon,scanVar,
fStart, stepWidth);
free(scanVar);
/*
as np can change, we have to reallocate enough space
*/
if(self->lCounts != NULL){
free(self->lCounts);
self->lCounts = (long *)malloc(np*sizeof(long));
if(self->lCounts == NULL){
SCWrite(pCon,"ERROR: out of memory for scan scan data",eError);
SCSetInterrupt(pCon,eAbortScan);
return 0;
}
memset(self->lCounts,0,np*sizeof(long));
}
/* do the scan */
snprintf(pBueffel,131,"Scanning %s, step %f, np = %d",scanVar, stepWidth, np);
SCWrite(pCon,pBueffel,eWarning);
free(scanVar);
if(self->iCompact)
{
self->pScanner->CollectScanData = CompactScanData;
@@ -563,9 +646,9 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
{
self->pScanner->ScanDrive = ScanFastDrive;
}
iRet = SilentScan(self->pScanner,self->np,self->CountMode,
iRet = SilentScan(self->pScanner,np,self->CountMode,
self->fPreset,pServ->pSics,pCon);
if(weakScan(self))
if(weakScan(self,twoTheta))
{
/*
look for interrupts before restarting scan
@@ -585,7 +668,7 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
redo scan with preset * 5
*/
SCWrite(pCon,"Remeasuring weak reflection",eWarning);
iRet = SilentScan(self->pScanner,self->np,self->CountMode,
iRet = SilentScan(self->pScanner,np,self->CountMode,
self->fPreset*5.,pServ->pSics,pCon);
}
@@ -651,10 +734,20 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
strcat(pFilename,"log");
self->iLogFile = SCAddLogFile(pCon,pFilename);
self->pCon = pCon;
sprintf(pBueffel,"Writing to %s.log, .ccl, .rfl",pRoot);
SCWrite(pCon,pBueffel,eValue);
/*
we do not need reflection files when doing a PSD scan
*/
if(self->psd == 1)
{
sprintf(pBueffel,"Logging to %s.log", pRoot);
SCWrite(pCon,pBueffel,eValue);
return 1;
}
/* open the reflection file */
sprintf(pBueffel,"Writing to %s.log, .ccl, .rfl",pRoot);
SCWrite(pCon,pBueffel,eValue);
strcpy(pFilename,pRoot);
strcat(pFilename,"ccl");
self->fRefl = fopen(pFilename,"w");
@@ -666,10 +759,6 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
SCSetInterrupt(pCon,eAbortBatch);
return 0;
}
/* put filename
fputs(pFilename,self->fRefl);
fputs("\n",self->fRefl);
*/
/* open hkl-data file */
strcpy(pFilename,pRoot);
@@ -688,15 +777,10 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
/* write some header data */
SNXFormatTime(pBueffel,1024);
/* fprintf(self->fRefl,"filetime = %s\n",pBueffel); */
fprintf(self->fHKL,"filetime = %s\n",pBueffel);
GetLambda(self->pCryst,&fVal);
/* fprintf(self->fRefl,"lambda = %f Angstroem\n",fVal); */
fprintf(self->fHKL,"lambda = %f Angstroem\n",fVal);
GetUB(self->pCryst,fUB);
/* fprintf(self->fRefl,
"UB = %7.6f %7.6f %7.6f %7.6f %7.6f %7.6f %7.6f %7.6f %7.6f\n",
fUB[0], fUB[1],fUB[2],fUB[3],fUB[4],fUB[5],fUB[6],fUB[7],fUB[8]); */
fprintf(self->fHKL,
"UB = %7.6f %7.6f %7.6f %7.6f %7.6f %7.6f %7.6f %7.6f %7.6f\n",
fUB[0], fUB[1],fUB[2],fUB[3],fUB[4],fUB[5],fUB[6],fUB[7],fUB[8]);
@@ -737,6 +821,22 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
{
MesureClose(self);
}
/* log file */
strcpy(pFile,self->pFileRoot);
strcat(pFile,"/");
strcat(pFile,fileroot);
strcat(pFile,".log");
self->iLogFile = SCAddLogFile(pCon,pFile);
self->pCon = pCon;
/*
No reopening of reflection files in psd mode
*/
if(self->psd == 1)
{
return 1;
}
/* check if this is possible */
strcpy(pFile,self->pFileRoot);
@@ -764,13 +864,6 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
strcat(pFile,".rfl");
self->fHKL = fopen(pFile,"a");
/* log file */
strcpy(pFile,self->pFileRoot);
strcat(pFile,"/");
strcat(pFile,fileroot);
strcat(pFile,".log");
self->iLogFile = SCAddLogFile(pCon,pFile);
self->pCon = pCon;
return 1;
}
@@ -779,6 +872,16 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
{
assert(self);
SCDelLogFile(self->pCon,self->iLogFile);
if(self->psd == 1)
{
self->pCon = NULL;
self->iLogFile = -1;
if(self->pCurrentFile)
free(self->pCurrentFile);
return 1;
}
if(self->fRefl)
{
fclose(self->fRefl);
@@ -789,7 +892,6 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
fclose(self->fHKL);
self->fHKL = NULL;
}
SCDelLogFile(self->pCon,self->iLogFile);
self->pCon = NULL;
self->iLogFile = -1;
if(self->pCurrentFile)
@@ -819,6 +921,14 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
}
#endif
/*
no writing in PSD mode
*/
if(self->psd == 1)
{
return 1;
}
/* get necessary data */
fSum = 0.;
fSigma = 0.;
@@ -850,7 +960,8 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
}
SCWrite(pCon,pBueffel,eWarning);
}
GetScanCounts(self->pScanner,self->lCounts,self->np);
iNP = GetScanNP(self->pScanner);
GetScanCounts(self->pScanner,self->lCounts,iNP);
/* write it */
if(self->fRefl)
@@ -891,7 +1002,6 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
/* collect data */
SNXFormatTime(pBueffel,512);
GetScanVarStep(self->pScanner,0,&fStep);
iNP = GetScanNP(self->pScanner);
fPreset = GetScanPreset(self->pScanner);
fprintf(self->fRefl,"%3d %7.3f %9.0f %7.3f %s\n",iNP,fStep,
fPreset,fTemp,pBueffel);
@@ -1226,6 +1336,18 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
}
return 1;
}
else if(strcmp(name,"psd") == 0)
{
if(fVal >= 1.)
{
self->psd = 1;
}
else
{
self->psd = 0;
}
return 1;
}
else if(strcmp(name,"weak") == 0)
{
if(fVal >= 1.)
@@ -1307,6 +1429,11 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
*fVal = self->iCompact;
return 1;
}
else if(strcmp(name,"psd") == 0)
{
*fVal = self->psd;
return 1;
}
else if(strcmp(name,"fastscan") == 0)
{
*fVal = (float)self->fastScan;