- Fix to various drivers due to changes in rs232controller

- hkl now searches psi in .5 steps
- first point of fastscan is driven normally


SKIPPED:
	psi/amor2t.c
	psi/amor2t.h
	psi/amor2t.i
	psi/amor2t.tex
	psi/amor2t.w
	psi/dornier2.c
	psi/el734hp.c
	psi/nxamor.c
	psi/slsmagnet.c
	psi/sps.c

hkl.c

@@ -628,7 +628,7 @@ static int calculateBisecting(MATRIX z1, pHKL self, SConnection *pCon,
   {
     if(iRetry > 1)
     {
-      psi = i*10.;
+      psi = i*.5;
     }
     else
     {
@@ -725,7 +725,7 @@ static int calculateNormalBeam(MATRIX z1, pHKL self, SConnection *pCon,
   {
     if(iRetry > 1)
     {
-      psi = 10. *i;
+      psi = i*.5;
     }
     else
     {
@@ -846,7 +846,7 @@ static int calculateNormalBeamOmega(MATRIX z1, pHKL self,
      }
      else
      {
-        iRetry = 35;
+        iRetry = 699;
      }
 
 
@@ -861,6 +861,9 @@ static int calculateNormalBeamOmega(MATRIX z1, pHKL self,
        if(self->iOMPHI > 0) {
        		if(ABS(fSet[2] - .0) < .1 || ABS(fSet[2] - 180.) < .1){
        			fSet[1] -= fSet[3];
+       			/*
+       			fSet[1] = 360. - fSet[3];
+       			*/
        			fSet[3] = .0;
        			if(fSet[1] < 0.){
        			  fSet[1] += 360.;

hklscan.c

@@ -155,7 +155,8 @@
     
     /* make the data header */
     sprintf(pLine,"%-5s","NP");
-    strcpy(pInfo,"Scanning Variables: H, K, L");
+    sprintf(pInfo,"Scanning Variables: H, K, L STEP: %8.3f %8.3f %8.3f",
+    	pHaSca->fStep[0],pHaSca->fStep[1], pHaSca->fStep[2]);
     strcat(pLine,"H       K       L       ");
     for(i = 0; i < self->iScanVar;i++)
     {

mccontrol.c

@@ -1,4 +1,4 @@
- /*----------------------------------------------------------------------------
+/*----------------------------------------------------------------------------
   McStas simulation to SICS controller module implementation file. For more 
   details see mcstas.tex. 
 
@@ -296,25 +296,16 @@ int McStasStart(pMcStasController self, CounterMode mode, float fPreset){
 static long readMonFile(pMcStasController self){
 		char pResult[256];
 		FILE *fd = NULL;
-		struct flock fl;
 		long monValue = -1;
 		int i;
 		
 		if(!StringDictGet(self->scripts,"mcmonfile",pResult,255)){
 			return -1;
 		}
-		fl.l_type = F_RDLCK;
+
-		fl.l_whence = SEEK_SET;
-		fl.l_start = 0;
-		fl.l_len = 0;
-		fl.l_pid = getpid();
-		
 		fd = fopen(pResult,"r");
 		if(fd != NULL){
-			fcntl(fileno(fd),F_SETLKW,&fl);
 			fscanf(fd,"%ld", &monValue);
-			fl.l_type = F_UNLCK;
-			fcntl(fileno(fd),F_SETLK,&fl);
 			fclose(fd);
 		} 
 		return monValue;

mcreader.c

@@ -7,6 +7,7 @@
   Mark Koennecke, June 2005
 -----------------------------------------------------------------------------*/
 #include <assert.h>
+#include <ctype.h>
 #include "mcreader.h"
 #include "counter.h"
 #include "HistMem.h"
@@ -283,12 +284,12 @@ static int insertHM(pMcStasReader self, SConnection *pCon,
 		return 0;
 	}
 	
-	pData = (char *)malloc(iDim[0]*sizeof(char));
+	pData = (char *)malloc((iDim[0]+1)*sizeof(char));
 	if(pData == NULL){
 		SCWrite(pCon,"ERROR: out of memory in mcreader inserthm",eError);
 		return 0;
 	}	
-	memset(pData,0,iDim[0]*sizeof(char));
+	memset(pData,0,(iDim[0]+1)*sizeof(char));
 
 	status = NXgetdata(self->handle,pData);
 	if(status != NX_OK){
@@ -322,6 +323,57 @@ static int insertHM(pMcStasReader self, SConnection *pCon,
 	return 1;		
 }
 /*--------------------------------------------------------------------------*/				
+static int getField(pMcStasReader self, SConnection *pCon, 
+	SicsInterp *pSics, int argc, char *argv[]){
+	char pBueffel[512], *pPtr, pNumber[80], *pData = NULL;
+	int status, type, rank, iDim[NX_MAXRANK];
+		
+	if(argc < 2){
+		SCWrite(pCon,\
+		"ERROR: insufficient number of arguments to mcreader getfield",
+		eError);
+		return 0;
+	}	
+	if(self->handle == NULL){
+		SCWrite(pCon,"ERROR: no file open to read data from",eError);
+		return 0;
+	}
+
+	status = NXopenpath(self->handle,argv[2]);
+	if(status != NX_OK){
+		snprintf(pBueffel,511,"ERROR: Nexus error %s while opening %s",
+		self->nexusError, argv[2]);
+		SCWrite(pCon,pBueffel,eError);
+		return 0;
+	}
+	
+	status = NXgetinfo(self->handle,&rank,iDim,&type);
+	if(status != NX_OK){
+		snprintf(pBueffel,511,"ERROR: Nexus error %s while reading %s",
+		self->nexusError, argv[2]);
+		SCWrite(pCon,pBueffel,eError);
+		return 0;
+	}
+	
+	pData = (char *)malloc((iDim[0]+1)*sizeof(char));
+	if(pData == NULL){
+		SCWrite(pCon,"ERROR: out of memory in mcreader getfield",eError);
+		return 0;
+	}	
+	memset(pData,0,(iDim[0]+1)*sizeof(char));
+
+	status = NXgetdata(self->handle,pData);
+	if(status != NX_OK){
+		snprintf(pBueffel,511,"ERROR: Nexus error %s while reading %s",
+		self->nexusError, argv[2]);
+		SCWrite(pCon,pBueffel,eError);
+		return 0;
+	}
+	SCWrite(pCon,pData,eValue);
+	free(pData);
+	return 1;		
+}
+/*--------------------------------------------------------------------------*/				
 static int insertHMFromData(pMcStasReader self, SConnection *pCon, 
 	SicsInterp *pSics, int argc, char *argv[]){
 	char pBueffel[512];
@@ -403,6 +455,8 @@ int McStasReaderWrapper(SConnection *pCon, SicsInterp *pSics,
     	return insertHM(self,pCon, pSics,argc,argv);
     } else if(strcmp(argv[1],"inserthmfromdata") == 0){
     	return insertHMFromData(self,pCon, pSics,argc,argv);
+    } else if(strcmp(argv[1],"getfield") == 0){
+    	return getField(self,pCon, pSics,argc,argv);
     } else {
     	snprintf(pBueffel,511,"ERROR: invalid subcommand %s to %s",
     	argv[1],argv[0]);

mcstas/dmc/DataNumber

@@ -1,3 +1,3 @@
- 89 
+ 98 
 NEVER, EVER modify or delete this file
 You'll risk eternal damnation and a reincarnation as a cockroach!|n

mcstas/dmc/MKMonitor.comp

@@ -47,24 +47,18 @@ OUTPUT PARAMETERS (Nsum, psum, p2sum,currentCount)
 STATE PARAMETERS (x,y,z,vx,vy,vz,t,s1,s2,p)
 SHARE
 %{
-#include <fcntl.h>
 	void dumpTotal(char *ffilename, long totalCounts){
 		FILE *fd = NULL;
-		struct flock fl;
+		char tmp[1024];
-		
+
-		fl.l_type = F_WRLCK;
+		strncpy(tmp,ffilename, 1000);
-		fl.l_whence = 0;
+		strcat(tmp,"tmp");
-		fl.l_start = 0;
+		fd = fopen(tmp,"w");
-		fl.l_len = 0;
-		fl.l_pid = getpid();
-		
-		fd = fopen(ffilename,"w");
 		if(fd != NULL){
-			fcntl(fileno(fd),F_SETLKW,&fl);
 			fprintf(fd,"%ld\n",totalCounts);
-			fl.l_type = F_UNLCK;
-			fcntl(fileno(fd),F_SETLK,&fl);
 			fclose(fd);
+			rename(tmp,ffilename);
+			unlink(tmp);
 		}
 	}
 %}  

mcstas/dmc/vdmccom.tcl

@@ -156,14 +156,14 @@ proc rundmcoptsim {mode preset } {
 	} 
 } 
 #------------------------------------------------------------------------
-proc copydmcdata { } {
+proc copydmcdataold { } {
 	global home
 	set mcversion "McStas 1.8 - Mar. 05, 2004"
 	washsimfile $home/dmc.xml
 	mcreader open $home/dmc.xml
 	mcreader insertmon \
 	"/$mcversion/DMC_diff/dmc.xml/PSD_sample/values" \
-	counter 1 [expr 1./700]
+	counter 1 [expr 1./350]
 	mcreader insertmon \
 	"/$mcversion/DMC_diff/dmc.xml/Det9/det9.dat/values" \
 	counter 5
@@ -171,7 +171,36 @@ proc copydmcdata { } {
 	if { $hmScale <= 0} {
 		set hmScale 1e9
 	} else {
-		set hmScale [expr $hmScale * 1e5]
+		set hmScale [expr $hmScale * 5e4]
+	}
+	clientput "HM scale = $hmScale"
+	mcreader inserthm \
+	"/$mcversion/DMC_diff/dmc.xml/Det9/det9.dat/data"  banana $hmScale
+	mcreader close
+}
+#------------------------------------------------------------------------
+proc copydmcdata { } {
+	global home
+	set mcversion "McStas 1.8 - Mar. 05, 2004"
+	washsimfile $home/dmc.xml
+	mcreader open $home/dmc.xml
+	mcreader insertmon \
+	"/$mcversion/DMC_diff/dmc.xml/PSD_sample/values" \
+	counter 1 [expr 1./350]
+	mcreader insertmon \
+	"/$mcversion/DMC_diff/dmc.xml/Det9/det9.dat/values" \
+	counter 5
+	set hmScale [SplitReply [counter getmonitor 5]]
+	set val [mcreader getfield\
+		"/$mcversion/DMC_diff/dmc.xml/Det9/det9.dat/values"]
+	set l [split $val]
+	set a [lindex $l 0]
+	set b [lindex $val 2]
+	if {$b > .0} {
+		set hmScale [expr $b / $a]
+		set hmScale [expr $hmScale / 6.]
+	} else {
+		set hmScale 1e9
 	}
 	clientput "HM scale = $hmScale"
 	mcreader inserthm \
@@ -186,9 +215,9 @@ proc dmcdump {pid} {
 #mccontrol configure mcstart rundmcsim
 mccontrol configure mcstart rundmcoptsim
 mccontrol configure mccopydata copydmcdata
-mccontrol configure update 60
+mccontrol configure update 30
 mccontrol configure mcmonfile $home/monfile
-mccontrol configure monitorscale [expr 1. /700]
+mccontrol configure monitorscale [expr 1. /350]
 mccontrol configure mcdump mcstasdump
 #--------------------------------------------------------------------------
 # A count command for VDMC

mcstas/dmc/vdmcstatus.tcl

@@ -14,7 +14,7 @@ sicsdatapostfix .hdf
 sicsdatapostfix setAccess 0
 sicsdataprefix powder
 sicsdataprefix setAccess 0
-starttime 2005-07-19 17:15:54
+starttime 2005-08-16 16:46:50
 starttime setAccess 2
 comment3 UNKNOWN
 comment3 setAccess 2
@@ -121,9 +121,9 @@ a1 precision 0.010000
 a1 AccessCode 2.000000
 a1 movecount 10.000000
 banana CountMode monitor
-banana preset 4000.000000
+banana preset 60.000000
 # Counter counter
-counter SetPreset 40000000.000000
+counter SetPreset 60000.000000
 counter SetMode Monitor
 # Motor twothetad
 twothetad sign 1.000000

mesure.c

@@ -625,7 +625,7 @@ static int ScanReflection(pMesure self, float twoTheta, SConnection *pCon)
   fStart -= (np/2)*stepWidth;
 
   /*
-    spcial case: psd mode
+    special case: psd mode
   */
   if(self->psd == 1)
   {

motor.c

@@ -216,6 +216,9 @@ static int statusRunTo(pMotor self, SConnection *pCon)
     SCWrite(pCon,pBueffel,eError);
     return HWFault;
   }
+  if(SCGetInterrupt(pCon) != eContinue){
+  	return HWFault;
+  }
   self->retryCount++;
   snprintf(pBueffel,255,"WARNING: restarting %s, %d time",
 	   self->name,self->retryCount);

napi.c

@@ -23,12 +23,13 @@
 
 ----------------------------------------------------------------------------*/
 
-static const char* rscid = "$Id: napi.c,v 1.11 2005/06/22 07:10:00 koennecke Exp $";	/* Revision interted by CVS */
+static const char* rscid = "$Id: napi.c,v 1.12 2005/09/07 13:51:12 koennecke Exp $";	/* Revision interted by CVS */
 
 #include <stdio.h>
 #include <stdlib.h>
 #include <assert.h>
 #include <string.h>
+#include <ctype.h>
 #include <time.h>
 #include <stdarg.h>
 #include "napi.h"
@@ -157,13 +158,27 @@ static int determineFileType(CONSTCHAR *filename)
     iFortifyScope = Fortify_EnterScope();
     Fortify_CheckAllMemory();
     */
-	*gHandle = NULL;
+    
+    /*
+      allocate data
+    */
+    *gHandle = NULL;
     fHandle = (pNexusFunction)malloc(sizeof(NexusFunction));
     if (fHandle == NULL) {
       NXIReportError (NXpData,"ERROR: no memory to create Function structure");
       return NX_ERROR;
     }
 	memset(fHandle, 0, sizeof(NexusFunction)); /* so any functions we miss are NULL */
+       
+    /*
+      test the strip flag. Elimnate it for the rest of the tests to work
+    */
+    fHandle->stripFlag = 1;
+    if(am & NXACC_NOSTRIP){
+      fHandle->stripFlag = 0;
+      am -= NXACC_NOSTRIP;
+    }
+
     if (am==NXACC_CREATE) {
       /* HDF4 will be used ! */
       hdf_type=1;
@@ -306,7 +321,16 @@ static int determineFileType(CONSTCHAR *filename)
                                   int rank, int dimensions[])
   {
     pNexusFunction pFunc = (pNexusFunction)fid;
-    return pFunc->nxmakedata(pFunc->pNexusData, name, datatype, rank, dimensions); 
+    if ( (datatype == NX_CHAR) && (rank > 1) )
+    {
+        NXIReportError (NXpData,
+          "ERROR: multi-dimensional NX_CHAR arrays are not supported by the NeXus library");
+	return NX_ERROR;
+    }
+    else
+    {
+        return pFunc->nxmakedata(pFunc->pNexusData, name, datatype, rank, dimensions); 
+    }
   }
 
 
@@ -316,7 +340,16 @@ static int determineFileType(CONSTCHAR *filename)
                            int rank, int dimensions[],int compress_type, int chunk_size[])
   {
     pNexusFunction pFunc = (pNexusFunction)fid; 
-    return pFunc->nxcompmakedata (pFunc->pNexusData, name, datatype, rank, dimensions, compress_type, chunk_size); 
+    if ( (datatype == NX_CHAR) && (rank > 1) )
+    {
+        NXIReportError (NXpData,
+          "ERROR: multi-dimensional NX_CHAR arrays are not supported by the NeXus library");
+	return NX_ERROR;
+    }
+    else
+    {
+        return pFunc->nxcompmakedata (pFunc->pNexusData, name, datatype, rank, dimensions, compress_type, chunk_size); 
+    }
   } 
   
  
@@ -419,27 +452,32 @@ static int determineFileType(CONSTCHAR *filename)
 
   /*-------------------------------------------------------------------------*/
   
-  NXstatus CALLING_STYLE NXmalloc (void** data, int rank, int dimensions[], int datatype)
+  NXstatus CALLING_STYLE NXmalloc (void** data, int rank, 
+				   int dimensions[], int datatype)
   {
     int i;
     size_t size = 1;
     *data = NULL;
     for(i=0; i<rank; i++)
     size *= dimensions[i];
-    if ((datatype == NX_CHAR) || (datatype == NX_INT8) || (datatype == NX_UINT8)) {
+    if ((datatype == NX_CHAR) || (datatype == NX_INT8) 
-        /* size is correct already */
+	|| (datatype == NX_UINT8)) {
+        /* allow for terminating \0 */
+      size += 1;
       }
       else if ((datatype == NX_INT16) || (datatype == NX_UINT16)) {
       size *= 2;
       }    
-      else if ((datatype == NX_INT32) || (datatype == NX_UINT32) || (datatype == NX_FLOAT32)) {
+      else if ((datatype == NX_INT32) || (datatype == NX_UINT32) 
+	       || (datatype == NX_FLOAT32)) {
         size *= 4;
       }    
       else if (datatype == NX_FLOAT64) {
         size *= 8;
       }
       else {
-        NXIReportError (NXpData, "ERROR: NXmalloc - unknown data type in array");
+        NXIReportError (NXpData,
+			"ERROR: NXmalloc - unknown data type in array");
         return NX_ERROR;
     }
     *data = (void*)malloc(size);
@@ -472,28 +510,105 @@ static int determineFileType(CONSTCHAR *filename)
     pNexusFunction pFunc = (pNexusFunction)fid;
     return pFunc->nxgetnextentry(pFunc->pNexusData, name, nxclass, datatype);  
   }
+/*----------------------------------------------------------------------*/
+/*
+**  TRIM.C - Remove leading, trailing, & excess embedded spaces
+**
+**  public domain by Bob Stout
+*/
+#define NUL '\0'
 
+static char *nxitrim(char *str)
+{
+      char *ibuf = str, *obuf = str;
+      int i = 0, cnt = 0;
 
+      /*
+      **  Trap NULL
+      */
+
+      if (str)
+      {
+            /*
+            **  Remove leading spaces (from RMLEAD.C)
+            */
+
+            for (ibuf = str; *ibuf && isspace(*ibuf); ++ibuf)
+                  ;
+	    str = ibuf;
+
+            /*
+            **  Remove trailing spaces (from RMTRAIL.C)
+            */
+	    i = strlen(str);
+            while (--i >= 0)
+            {
+                  if (!isspace(str[i]))
+                        break;
+            }
+            str[++i] = NUL;
+      }
+      return str;
+}
   /*-------------------------------------------------------------------------*/
 
   NXstatus CALLING_STYLE NXgetdata (NXhandle fid, void *data)
   {
+    int status, type, rank, iDim[NX_MAXRANK];
+    char *pPtr, *pPtr2;
+
     pNexusFunction pFunc = (pNexusFunction)fid;
-    return pFunc->nxgetdata(pFunc->pNexusData, data); 
+    status = pFunc->nxgetinfo(pFunc->pNexusData, &rank, iDim, &type); /* unstripped size if string */
+    if ( (type == NX_CHAR) && (pFunc->stripFlag == 1) )
+    {
+	pPtr = (char*)malloc(iDim[0]+1);
+        memset(pPtr, 0, iDim[0]+1);
+        status = pFunc->nxgetdata(pFunc->pNexusData, pPtr); 
+	pPtr2 = nxitrim(pPtr);
+	strncpy((char*)data, pPtr2, strlen(pPtr2)); /* not NULL terminated by default */
+	free(pPtr);
+    }
+    else
+    {
+        status = pFunc->nxgetdata(pFunc->pNexusData, data); 
+    }
+    return status;
   }
-  
     
   /*-------------------------------------------------------------------------*/
  
-  NXstatus CALLING_STYLE NXgetinfo (NXhandle fid, int *rank, int dimension[], int *iType)
+  NXstatus CALLING_STYLE NXgetinfo (NXhandle fid, int *rank, 
+				    int dimension[], int *iType)
   {
+    int status;
+    char *pPtr = NULL;
+
     pNexusFunction pFunc = (pNexusFunction)fid;
-    return pFunc->nxgetinfo(pFunc->pNexusData, rank, dimension, iType);
+    status = pFunc->nxgetinfo(pFunc->pNexusData, rank, dimension, iType);
+    /*
+      the length of a string may be trimmed....
+    */
+    if(*iType == NX_CHAR && pFunc->stripFlag == 1){
+      pPtr = (char *)malloc((dimension[0]+1)*sizeof(char));
+      if(pPtr != NULL){
+	memset(pPtr,0,(dimension[0]+1)*sizeof(char));
+	pFunc->nxgetdata(pFunc->pNexusData, pPtr);
+	dimension[0] = strlen(nxitrim(pPtr));
+	free(pPtr);
+      }
+    } 
+    if ( (*iType == NX_CHAR) && (*rank > 1) )
+    {
+	NXIReportError(NXpData,
+      "WARNING: multi-dimensional character arrays are not really supported");
+    }
+    return status;
   }
   
   /*-------------------------------------------------------------------------*/
 
-  NXstatus CALLING_STYLE NXgetslab (NXhandle fid, void *data, int iStart[], int iSize[])
+  NXstatus CALLING_STYLE NXgetslab (NXhandle fid, void *data, 
+				    int iStart[], int iSize[])
   {
     pNexusFunction pFunc = (pNexusFunction)fid;
     return pFunc->nxgetslab(pFunc->pNexusData, data, iStart, iSize);
@@ -754,7 +869,6 @@ static NXstatus stepOneUp(NXhandle hfil, char *name)
   {
       return NX_OK;
   }
- 
   
   NXinitgroupdir(hfil);
   while(NXgetnextentry(hfil,name2,xclass,&datatype) != NX_EOD)

napi.h

@@ -3,7 +3,7 @@
   
   Application Program Interface Header File
   
-  Copyright (C) 2000-2003 Mark Koennecke, Uwe Filges
+  Copyright (C) 2000-2005 Mark Koennecke, Uwe Filges
   
   This library is free software; you can redistribute it and/or
   modify it under the terms of the GNU Lesser General Public
@@ -21,7 +21,7 @@
  
   For further information, see <http://www.neutron.anl.gov/NeXus/>
   
-  $Id: napi.h,v 1.8 2005/05/27 11:58:05 koennecke Exp $
+  $Id: napi.h,v 1.9 2005/09/07 13:51:12 koennecke Exp $
 
  ----------------------------------------------------------------------------*/
   
@@ -45,16 +45,30 @@
 
 #ifdef _WIN32
 #define snprintf nxisnprintf
-
 extern int nxisnprintf(char* buffer, int len, const char* format, ... );
-
+#endif /* _WIN32 */
-#endif
 
 typedef void* NXhandle;         /* really a pointer to a NexusFile structure */
 typedef int NXstatus;
 typedef char NXname[128];
 
-typedef enum {NXACC_READ=1, NXACC_RDWR=2, NXACC_CREATE=3, NXACC_CREATE4=4, NXACC_CREATE5=5, NXACC_CREATEXML=6} NXaccess;
+/* 
+ * Any new NXaccess options should be numbered in 2^n format 
+ * (8, 16, 32, etc) so that they can be bit masked and tested easily.
+ *
+ * To test older non bit masked options (values below 8) use e.g.
+ *
+ *       if ( (mode & NXACCMASK_REMOVEFLAGS) == NXACC_CREATE )
+ *
+ * To test new (>=8) options just use normal bit masking e.g.
+ * 
+ *       if ( mode & NXACC_NOSTRIP )
+ *
+ */
+#define NXACCMASK_REMOVEFLAGS (0x7) /* bit mask to remove higher flag options */
+
+typedef enum {NXACC_READ=1, NXACC_RDWR=2, NXACC_CREATE=3, NXACC_CREATE4=4, 
+	      NXACC_CREATE5=5, NXACC_CREATEXML=6, NXACC_NOSTRIP=128} NXaccess;
 
 typedef struct {
                 char *iname;
@@ -70,10 +84,6 @@ typedef struct {
 #define NX_MAXRANK 32
 #define NX_MAXNAMELEN 64
 
-
-
-
-
 /*-------------------------------------------------------------------------
                 HDF Datatype values for datatype parameters 
                        in the Nexus API
@@ -91,7 +101,6 @@ typedef struct {
 
 --------------------------------------------------------------------------*/ 
 
-  
 /* Map NeXus to HDF types */
 #define NX_FLOAT32   5
 #define NX_FLOAT64   6
@@ -111,37 +120,20 @@ typedef struct {
 #define NX_COMP_RLE 300
 #define NX_COMP_HUF 400  
 
-
-#ifdef HDF4
-#include <mfhdf.h>
-#endif 
-
-#ifdef HDF5
-#include <hdf5.h>
-#endif                
-
-#ifndef HDF4
-typedef int int32;
-#endif
-
 typedef struct {
-                int32 iTag;          /* HDF4 variable */
+                long iTag;          /* HDF4 variable */
-                int32 iRef;          /* HDF4 variable */
+                long iRef;          /* HDF4 variable */
-#ifdef HDF5
                 char iTag5[1024];     /* HDF5 variable */ 
                 char iRef5[1024];     /* HDF5 variable */
                 char iRefd[1024];     /* HDF5 variable */
-#endif  
                 char targetPath[1024]; /* XML path */
                } NXlink;
 
-  
-
 #define NXMAXSTACK 50
 
 #define CONCAT(__a,__b) __a##__b        /* token concatenation */
 
-#if defined(__unix) || defined(__unix__) || defined (__VMS)
+#if defined(__unix) || defined(__unix__) || defined (__VMS) || defined(__APPLE__)
 
 #    ifdef __VMS
 #        define MANGLE(__arg)	__arg 
@@ -331,6 +323,7 @@ NX_EXTERNAL  NXstatus CALLING_STYLE NXfree(void** data);
 NX_EXTERNAL  void CALLING_STYLE NXMSetError(void *pData, void (*ErrFunc)(void *pD, char *text));
 extern void (*NXIReportError)(void *pData,char *text);
 extern void *NXpData;
+extern char *NXIformatNeXusTime();
 
 
 /*
@@ -344,6 +337,7 @@ NX_EXTERNAL  NXstatus CALLING_STYLE NXsetcache(long newVal);
  */
   typedef struct {
         NXhandle *pNexusData;   
+        int stripFlag;
         NXstatus (CALLING_STYLE *nxclose)(NXhandle* pHandle);
         NXstatus (CALLING_STYLE *nxflush)(NXhandle* pHandle);
         NXstatus (CALLING_STYLE *nxmakegroup) (NXhandle handle, CONSTCHAR *name, CONSTCHAR* NXclass);

napi4.c

@@ -21,7 +21,7 @@
              
   For further information, see <http://www.neutron.anl.gov/NeXus/>
   
-  $Id: napi4.c,v 1.4 2005/05/27 11:58:06 koennecke Exp $
+  $Id: napi4.c,v 1.5 2005/09/07 13:51:12 koennecke Exp $
 
 ----------------------------------------------------------------------------*/
 #include <stdlib.h>
@@ -324,18 +324,12 @@ extern	void *NXpData;
 				  NXhandle* pHandle)
   {
     pNexusFile pNew = NULL;
-    char pBuffer[512], time_buffer[64];
+    char pBuffer[512];
+    char *time_puffer;
     char HDF_VERSION[64];
     uint32 lmajor, lminor, lrelease;
     int32 am1=0;
     int32 file_id=0, an_id=0, ann_id=0;
-    time_t timer;
-    struct tm *time_info;
-    const char* time_format;
-    long gmt_offset;
-#ifdef USE_FTIME
-    struct timeb timeb_struct;
-#endif /* USE_FTIME */
   
     *pHandle = NULL;
     /* map Nexus NXaccess types to HDF4 types */
@@ -355,53 +349,9 @@ extern	void *NXpData;
       return NX_ERROR;
     }
     memset (pNew, 0, sizeof (NexusFile));
-/* 
- * get time in ISO 8601 format 
- */
 
-/*
+    time_puffer = NXIformatNeXusTime();
-#ifdef NEED_TZSET
+
-    tzset();
-#endif 
-    time(&timer);
-#ifdef USE_FTIME
-    ftime(&timeb_struct);
-    gmt_offset = -timeb_struct.timezone * 60;
-    if (timeb_struct.dstflag != 0) {
-        gmt_offset += 3600;
-    }
-#else
-    time_info = gmtime(&timer);
-    if (time_info != NULL) {
-      gmt_offset = (long)difftime(timer, mktime(time_info));
-    } else {
-      NXIReportError(NXpData, "Your gmtime() function does not work ... timezone information will be incorrect\n");
-      gmt_offset = 0;
-    }
-#endif 
-    time_info = localtime(&timer);
-*/
-    time_info = NULL;
-    if (time_info != NULL) {
-      if (gmt_offset < 0) {
-        time_format = "%04d-%02d-%02d %02d:%02d:%02d-%02d%02d";
-      } else {
-        time_format = "%04d-%02d-%02d %02d:%02d:%02d+%02d%02d";
-      }
-      sprintf(time_buffer, time_format,
-            1900 + time_info->tm_year,
-            1 + time_info->tm_mon,
-            time_info->tm_mday,
-            time_info->tm_hour,
-            time_info->tm_min,
-            time_info->tm_sec,
-            abs(gmt_offset / 3600),
-            abs((gmt_offset % 3600) / 60)
-      );
-    } else {
-      strcpy(time_buffer, "1970-01-01 00:00:00+0000");
-    }
-  
 #if WRITE_OLD_IDENT     /* not used at moment */
 /*
  * write something that can be used by OLE
@@ -457,9 +407,15 @@ extern	void *NXpData;
         NXIReportError (NXpData, "ERROR: HDF failed to store file_name attribute ");
         return NX_ERROR;
       }
-      if (SDsetattr(pNew->iSID, "file_time", DFNT_CHAR8, strlen(time_buffer), time_buffer) < 0) {
+      if(time_puffer != NULL){
-        NXIReportError (NXpData, "ERROR: HDF failed to store file_time attribute ");
+	if (SDsetattr(pNew->iSID, "file_time", DFNT_CHAR8, 
-        return NX_ERROR;
+		      strlen(time_puffer), time_puffer) < 0) {
+	  NXIReportError (NXpData, 
+			  "ERROR: HDF failed to store file_time attribute ");
+	  free(time_puffer);
+	  return NX_ERROR;
+	}
+	free(time_puffer);
       }
     }
 
@@ -1465,7 +1421,8 @@ extern	void *NXpData;
   /*-------------------------------------------------------------------------*/
 
   NXstatus
-  CALLING_STYLE NX4getinfo (NXhandle fid, int *rank, int dimension[], int *iType)
+  CALLING_STYLE NX4getinfo (NXhandle fid, int *rank, int dimension[], 
+			    int *iType)
   {
     pNexusFile pFile;
     NXname pBuffer;

napi4.h

@@ -1,6 +1,6 @@
 #define NXSIGNATURE 959697
 
-#include "napi.h"
+#include "mfhdf.h"
 /* #include "napi4.c" */
 
 /* 

napi5.c

@@ -117,13 +117,10 @@ NXstatus CALLING_STYLE NX5closegroup (NXhandle fid);
   {
   hid_t attr1,aid1, aid2;
   pNexusFile5 pNew = NULL;
-  char pBuffer[512], time_buffer[64];
+  char pBuffer[512];
+  char *time_buffer;
   char version_nr[10];
   int iRet;
-  time_t timer;
-  struct tm *time_info;
-  const char* time_format;
-  long gmt_offset;
   unsigned int vers_major, vers_minor, vers_release, am1 ;
   hid_t fapl;     
   int mdc_nelmts;
@@ -132,7 +129,6 @@ NXstatus CALLING_STYLE NX5closegroup (NXhandle fid);
 #else
   size_t rdcc_nelmts;
 #endif
-
   size_t rdcc_nbytes;
   double rdcc_w0;
 
@@ -151,56 +147,8 @@ NXstatus CALLING_STYLE NX5closegroup (NXhandle fid);
     }
     memset (pNew, 0, sizeof (NexusFile5));
 
-#ifdef NEED_TZSET
+    time_buffer = NXIformatNeXusTime();
-    tzset();
+
-#endif 
-    time(&timer);
-#ifdef USE_FTIME
-    ftime(&timeb_struct);
-    gmt_offset = -timeb_struct.timezone * 60;
-    if (timeb_struct.dstflag != 0)
-    {
-        gmt_offset += 3600;
-    }
-#else
-    time_info = gmtime(&timer);
-    if (time_info != NULL)
-    {
-        gmt_offset = (long)difftime(timer, mktime(time_info));
-    }
-    else
-    {
-        NXIReportError (NXpData, 
-        "Your gmtime() function does not work ... timezone information will be incorrect\n");
-        gmt_offset = 0;
-    }
-#endif 
-    time_info = localtime(&timer);
-    if (time_info != NULL)
-    {
-        if (gmt_offset < 0)
-        {
-            time_format = "%04d-%02d-%02d %02d:%02d:%02d-%02d%02d";
-        }
-        else
-        {
-            time_format = "%04d-%02d-%02d %02d:%02d:%02d+%02d%02d";
-        }
-        sprintf(time_buffer, time_format,
-            1900 + time_info->tm_year,
-            1 + time_info->tm_mon,
-            time_info->tm_mday,
-            time_info->tm_hour,
-            time_info->tm_min,
-            time_info->tm_sec,
-            abs(gmt_offset / 3600),
-            abs((gmt_offset % 3600) / 60)
-        );
-    }
-    else
-    {
-        strcpy(time_buffer, "1970-01-01 00:00:00+0000");
-    }
     /* start HDF5 interface */
     if (am == NXACC_CREATE5) {  
        fapl = H5Pcreate(H5P_FILE_ACCESS);
@@ -311,28 +259,33 @@ NXstatus CALLING_STYLE NX5closegroup (NXhandle fid);
 	iRet = H5Sclose(aid2); 
         iRet = H5Aclose(attr1);
 	/*----------- file time */
-        aid2=H5Screate(H5S_SCALAR);
+	if(time_buffer != NULL){
-        aid1 = H5Tcopy(H5T_C_S1);
+	  aid2=H5Screate(H5S_SCALAR);
-        H5Tset_size(aid1, strlen(time_buffer));
+	  aid1 = H5Tcopy(H5T_C_S1);
-        attr1=H5Acreate(pNew->iVID, "file_time", aid1, aid2, H5P_DEFAULT);
+	  H5Tset_size(aid1, strlen(time_buffer));
-        if (attr1 < 0)
+	  attr1=H5Acreate(pNew->iVID, "file_time", aid1, aid2, H5P_DEFAULT);
-        {
+	  if (attr1 < 0)
-          NXIReportError (NXpData, 
+	  {
+	      NXIReportError (NXpData, 
 			  "ERROR: HDF failed to store file_time attribute ");
-          return NX_ERROR;
+	      free(time_buffer);
-        }
+	      return NX_ERROR;
-        if (H5Awrite(attr1, aid1, time_buffer) < 0)
+	  }
-        {
+	  if (H5Awrite(attr1, aid1, time_buffer) < 0)
-          NXIReportError (NXpData, 
+	  {
+	      NXIReportError (NXpData, 
 			  "ERROR: HDF failed to store file_time attribute ");
-          return NX_ERROR;
+	      free(time_buffer);
-        }
+	      return NX_ERROR;
-        /* Close attribute dataspace */
+	  }
-       iRet = H5Tclose(aid1);
+	  /* Close attribute dataspace */
-       iRet = H5Sclose(aid2); 
+	  iRet = H5Tclose(aid1);
-       /* Close attribute */
+	  iRet = H5Sclose(aid2); 
-       iRet = H5Aclose(attr1); 
+	  /* Close attribute */
-       H5Gclose(pNew->iVID); 
+	  iRet = H5Aclose(attr1); 
+	  free(time_buffer);
+	}
+	H5Gclose(pNew->iVID); 
     }
     /* Set HDFgroup access mode */
     if (am1 == H5F_ACC_RDONLY) {
@@ -610,8 +563,10 @@ NXstatus CALLING_STYLE NX5closegroup (NXhandle fid);
   
  /* --------------------------------------------------------------------- */
 
-  NXstatus CALLING_STYLE NX5compmakedata (NXhandle fid, CONSTCHAR *name, int datatype, 
+  NXstatus CALLING_STYLE NX5compmakedata (NXhandle fid, CONSTCHAR *name, 
-                           int rank, int dimensions[],int compress_type, int chunk_size[])
+					  int datatype, 
+					  int rank, int dimensions[],
+					  int compress_type, int chunk_size[])
   {
     hid_t datatype1, dataspace, iNew, iRet;
     hid_t type,cparms;
@@ -692,6 +647,7 @@ NXstatus CALLING_STYLE NX5closegroup (NXhandle fid);
          {
          mydim1[i] = dimensions[i];
          }
+      dimensions[0] = byte_zahl;
          dataspace=H5Screate_simple(rank,mydim1,NULL);
     } else {
       if (dimensions[0] == NX_UNLIMITED)

nxio.c

@@ -342,7 +342,7 @@ mxml_type_t nexusTypeCallback(mxml_node_t *parent){
     if(typeString == NULL){
       /*
 	MXML_TEXT seems more appropriate here. But mxml hacks text into
-	single words which is not what NeXus want.
+	single words which is not what NeXus wants.
       */
       return MXML_OPAQUE;
     } else{
@@ -498,6 +498,41 @@ char *nexusWriteCallback(mxml_node_t *node){
   myxml_add_char('\0',&bufPtr,&buffer,&bufsize);
   return (char *)buffer;
 }
+/*------------------------------------------------------------------*/
+int isDataNode(mxml_node_t *node){
+  if(mxmlElementGetAttr(node,"name") != NULL){
+    return 0;
+  }
+  if(strcmp(node->value.element.name,"NXroot") == 0){
+    return 0;
+  }
+  if(strcmp(node->value.element.name,"NAPIlink") == 0){
+    return 0;
+  }
+  return 1;
+}
+/*--------------------------------------------------------------------*/
+static int isTextData(mxml_node_t *node){
+  const char *attr = NULL;
+  int rank, type, iDim[NX_MAXRANK];
+
+  if(!isDataNode(node)){
+    return 0;
+  }
+  /*
+    test datasets
+  */
+  attr = mxmlElementGetAttr(node,TYPENAME);
+  if(attr == NULL){
+    return 1;
+  }
+  analyzeDim(attr,&rank,iDim,&type);
+  if(type == NX_CHAR){
+    return 1;
+  } else {
+    return 0;
+  }
+}
 /*---------------------------------------------------------------------*/
 const char *NXwhitespaceCallback(mxml_node_t *node, int where){
   char *indent;
@@ -507,6 +542,20 @@ const char *NXwhitespaceCallback(mxml_node_t *node, int where){
     return NULL;
   }
 
+  if(isTextData(node)){
+    if(where == MXML_WS_BEFORE_OPEN){
+      len = countDepth(node)*2 + 2;
+      indent = (char *)malloc(len*sizeof(char));
+      if(indent != NULL){
+	memset(indent,' ',len);
+	indent[0]= '\n';
+	indent[len-1] = '\0';
+	return  (const char*)indent;
+      }
+    }
+    return NULL;
+  }
+
   if(where == MXML_WS_BEFORE_OPEN || where == MXML_WS_BEFORE_CLOSE){
     len = countDepth(node)*2 + 2;
     indent = (char *)malloc(len*sizeof(char));

nxio.h

@@ -39,7 +39,7 @@ void initializeNumberFormats();
 void getNumberText(int nx_type, char *typestring, int typeLen);
 void destroyDataset(void *data);
 int translateTypeCode(char *code);
-
+int isDataNode(mxml_node_t *node);
 
 
 #endif

nxxml.c

@@ -30,7 +30,6 @@
 
 
 extern  void *NXpData;
-extern char *NXIformatNeXusTime();
 
 
 /*----------------------- our data structures --------------------------
@@ -59,21 +58,8 @@ typedef struct {
   xmlStack stack[NXMAXSTACK];  /* stack */
 }XMLNexus, *pXMLNexus;
 /*===================== support functions ===============================*/
-static int isDataNode(mxml_node_t *node){
-  if(mxmlElementGetAttr(node,"name") != NULL){
-    return 0;
-  }
-  if(strcmp(node->value.element.name,"NXroot") == 0){
-    return 0;
-  }
-  if(strcmp(node->value.element.name,"NAPIlink") == 0){
-    return 0;
-  }
-  return 1;
-}
-/*----------------------------------------------------------------------*/
 extern char *stptok(char *s, char *tok, size_t toklen, char *brk);
-
+/*----------------------------------------------------------------------*/
 static mxml_node_t *getLinkTarget(pXMLNexus xmlHandle, const char *target){
   mxml_node_t *node = NULL;
   mxml_node_t *testNode = NULL;
@@ -160,7 +146,7 @@ NXstatus CALLING_STYLE NXXopen(CONSTCHAR *filename, NXaccess am,
 		   "?xml version=\"1.0\" encoding=\"UTF-8\"?");
     current = mxmlNewElement(xmlHandle->root,"NXroot");
     mxmlElementSetAttr(current,"NeXus_version",NEXUS_VERSION);
-    mxmlElementSetAttr(current,"XML_version","mxml-2.0");
+    mxmlElementSetAttr(current,"XML_version","mxml");
     mxmlElementSetAttr(current,"file_name",filename);
     time_buffer = NXIformatNeXusTime();
     if(time_buffer != NULL){
@@ -448,6 +434,24 @@ static mxml_node_t *searchSDSLinks(pXMLNexus xmlHandle, CONSTCHAR *name){
   }
   return NULL;
 }
+/*-------------------------------------------------------------------*/
+static int strtrimcr(char *szStr, char *szSet)
+{
+      int   i, j;                                     /* Locale counters */
+
+      /*-------------------------------------------------*/
+
+      j = i = strlen(szStr) - 1;                /* Find length of string */
+
+      while (strrchr(szSet, szStr[ i ])
+                  && (0 <= i))
+      {
+            /* While string is terminated by one of the specified characters */
+            szStr[ i-- ] = '\0';          /*- Replace character with '\0' */
+      }
+
+      return(j - i);    /* Return the difference between old and new length */
+}
 /*-----------------------------------------------------------------------*/
 NXstatus CALLING_STYLE NXXopendata (NXhandle fid, CONSTCHAR *name){
   pXMLNexus xmlHandle = NULL;
@@ -603,7 +607,7 @@ NXstatus CALLING_STYLE NXXgetinfo (NXhandle fid, int *rank,
     */
     *rank = 1;
     *iType = NX_CHAR;
-    dimension[0]= strlen(userData->value.opaque) +1;
+    dimension[0]= strlen(userData->value.opaque);
   } else { 
     dataset = (pNXDS)userData->value.custom.data;
     assert(dataset);
@@ -1015,8 +1019,13 @@ NXstatus CALLING_STYLE NXXgetnextentry (NXhandle fid,NXname name,
   assert(xmlHandle);
 
   if(isDataNode(xmlHandle->stack[xmlHandle->stackPointer].current)){
-    NXIReportError(NXpData,"Cannot search datasets");
+    /*
-    return NX_ERROR;
+      be nice to users: close the open dataset even as this is
+      a usage error
+    */
+    NXIReportError(NXpData,
+		   "WARNING: fixing bad NAPI usage: dataset still open");
+    NXXclosedata(fid);
   }
 
   stackPtr = xmlHandle->stackPointer;

nxxml.h

@@ -22,7 +22,9 @@
 #ifndef NEXUSXML
 #define NEXUSXML
 
-NX_EXTERNAL  NXstatus CALLING_STYLE NXXopen(CONSTCHAR *filename, NXaccess access_method, NXhandle* pHandle);
+NX_EXTERNAL  NXstatus CALLING_STYLE NXXopen(CONSTCHAR *filename, 
+					    NXaccess access_method, 
+					    NXhandle* pHandle);
 NX_EXTERNAL  NXstatus CALLING_STYLE NXXclose(NXhandle* pHandle);
 NX_EXTERNAL  NXstatus CALLING_STYLE NXXflush(NXhandle* pHandle);
 

scan.c

@@ -1648,6 +1648,40 @@ static int InterpretScanFunctions(pScanData self, SConnection *pCon,
   }
   return 0;
 }
+/*--------------------------------------------------------------------------*/
+static int DumpScan(pScanData self, SConnection *pCon)
+{
+	int i;
+	SConnection *oldCon;
+	char pFile[1024];
+	
+	if(self->iActive)
+	{
+		SCWrite(pCon,"ERROR: cannot dump scan while running",eError);
+		return 0;
+	}
+	if(!self->pSics)
+	{
+		self->pSics = pServ->pSics;
+	}
+	/*
+	 * save old file etc status
+	 */
+	oldCon = self->pCon;
+	pFile[0] = '\0';
+	strncpy(pFile,self->pFile,1023);
+	prepareDataFile(self);
+	self->pCon = pCon;
+	self->WriteHeader(self);
+	for(i = 0; i < self->iNP; i++)
+	{
+		self->WriteScanPoints(self,i);
+	}
+	SCWrite(pCon,"Scan dumped", eValue);
+	self->pCon = oldCon;
+	strncpy(self->pFile,pFile,1023);
+	return 1;
+}	
 /*---------------------------------------------------------------------------*/
   int ScanWrapper(SConnection *pCon, SicsInterp *pSics, void *pData,
                   int argc, char *argv[])
@@ -1970,7 +2004,12 @@ static int InterpretScanFunctions(pScanData self, SConnection *pCon,
             return 0;        
           }   
           return 1;
-        }          
+        }  
+/*------------ dump */
+	    else if(strcmp(argv[1],"dump") == 0)
+	    {
+	    	return DumpScan(self,pCon);
+	    }                
 /* --------callback */
         else if(strcmp(argv[1],"callback") == 0)
         {

scan.tex

@@ -466,6 +466,10 @@ $\langle$stdscan {\footnotesize ?}$\rangle\equiv$
 \mbox{}\verb@    */@\\
 \mbox{}\verb@  int PrepareScan(pScanData self);@\\
 \mbox{}\verb@  /**@\\
+\mbox{}\verb@        * allocate a new data file@\\
+\mbox{}\verb@        */@\\
+\mbox{}\verb@  int prepareDataFile(pScanData self);@\\
+\mbox{}\verb@  /**@\\
 \mbox{}\verb@    * second version of PrepareScan which does not check scan limits@\\
 \mbox{}\verb@    */ @\\
 \mbox{}\verb@  int NonCheckPrepare(pScanData self);@\\

scan.w

@@ -411,6 +411,10 @@ documentation.
     * counter.
     */
   int PrepareScan(pScanData self);
+  /**
+	* allocate a new data file
+	*/
+  int prepareDataFile(pScanData self);
   /**
     * second version of PrepareScan which does not check scan limits
     */ 

stdscan.c

@@ -267,7 +267,7 @@ static char *fixExtension(char *filename)
   int WriteScanPoints(pScanData self, int iPoint)
   {
     int i, i2;
-    char pLine[512], pItem[30], pInfo[512];
+    char pLine[512], pItem[30], pInfo[1024], pSteps[256];
     pVarEntry pVar = NULL;
     pCountEntry pData = NULL;
     void *pPtr = NULL;
@@ -296,6 +296,7 @@ static char *fixExtension(char *filename)
     /* make the data header */
     sprintf(pLine,"%-4s ","NP");
     strcpy(pInfo,"Scanning Variables: ");
+    strcpy(pSteps,"Steps: ");
     for(i = 0; i < self->iScanVar;i++)
     {
       DynarGet(self->pScanVar,i,&pPtr);
@@ -306,6 +307,8 @@ static char *fixExtension(char *filename)
         strcat(pLine,pItem);
         sprintf(pItem,"%s, ",ScanVarName(pVar));
         strcat(pInfo,pItem);
+        sprintf(pItem,"%f ",ScanVarStep(pVar));
+        strcat(pSteps,pItem);
       }
     }
     strcat(pLine," Counts      ");
@@ -313,6 +316,7 @@ static char *fixExtension(char *filename)
     strcat(pLine,"Monitor2    ");
     strcat(pLine,"Monitor3    ");
     strcat(pLine,"Time  ");
+    strcat(pInfo,pSteps);
     sprintf(pItem,"\n%d Points,",self->iNP);
     strcat(pInfo,pItem);
     if(self->iMode == eTimer)
@@ -369,7 +373,7 @@ static char *fixExtension(char *filename)
     return 1;
   }          
 /*------------------------------------------------------------------------*/
-static int prepareDataFile(pScanData self){
+int prepareDataFile(pScanData self){
   char *pPtr = NULL;
   char pBueffel[512];
 
@@ -704,6 +708,16 @@ static int prepareDataFile(pScanData self){
     long lTask;
     int status;
 
+	/*
+	 * drive the first point normally, otherwise there is to much intensity
+	 * in the first data point from the long time driving to the start
+	 * position.
+	 */
+	if(iPoint == 0)
+	{
+		return ScanDrive(self,iPoint);
+	}
+
     iRet = StartToDrive(self,iPoint);
     if(!iRet)
     {

stdscan.h

@@ -28,6 +28,10 @@
     * counter.
     */
   int PrepareScan(pScanData self);
+  /**
+        * allocate a new data file
+        */
+  int prepareDataFile(pScanData self);
   /**
     * second version of PrepareScan which does not check scan limits
     */ 

synchronize.c

@@ -258,6 +258,15 @@ tryagain:
             eWarning);
   }
  
+ /*
+  * relase the connection, this may be more stable
+  */
+   NETClosePort(connection);
+   free(connection);
+   connection = NULL;
+  
+ 
+ 
   /*
    now read the backup file and we are done
   */

ubfour.c

@@ -20,15 +20,21 @@
 /*--------------------------------------------------------------------------------------*/
 static MATRIX calcUVectorFromAngles(reflection r){
   MATRIX u;
+  double om;
 
   u = makeVector();
   if(u == NULL){
     return NULL;
   }
-  vectorSet(u,0,Cosd(r.om)*Cosd(r.chi)*Cosd(r.phi) - Sind(r.om)*Sind(r.phi));
+  /*
-  vectorSet(u,1,Cosd(r.om)*Cosd(r.chi)*Sind(r.phi) + Sind(r.om)*Cosd(r.phi));
+   * the tricky bit is set again: Busing and Levy's omega is 0 in bisecting
-  vectorSet(u,2,Cosd(r.om)*Sind(r.chi));
+   * position. This is why we have to correct for two_theta/2 here in order  
-  
+   * to arrive at the proper rotation around the omega axis.
+   */
+  om = r.om - r.s2t/2.;
+  vectorSet(u,0,Cosd(om)*Cosd(r.chi)*Cosd(r.phi) - Sind(om)*Sind(r.phi));
+  vectorSet(u,1,Cosd(om)*Cosd(r.chi)*Sind(r.phi) + Sind(om)*Cosd(r.phi));
+  vectorSet(u,2,Cosd(om)*Sind(r.chi));
   return u;	    
 }
 /*--------------------------------------------------------------------------------------*/