- Added reflection generation for symmetriqally missing reflections
to fourmess - Fixed hdbtable, reflist and tasub up to work with GTSE - Made TRICS do fast scans again - Added support for SANS beam center calculations - Fixed a bug where SICS apparently did double counting but in fact just omitted an error message and did not - Added the harray command
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12
simindex.c
12
simindex.c
@ -115,8 +115,9 @@ static int RunIndexCmd(pSICSOBJ self, SConnection * pCon, pHdb commandNode,
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double ang[4], z1[3];
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IndexSolution is;
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MATRIX ub;
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pHdb nSol = NULL;
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SimIdxSetLambda(SXGetLambda());
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SimIdxSetLambda(SXGetLambda());
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SimIdxSetCell((double *) SXGetCell());
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SimIdxSetSpacegroup(SXGetSpaceGroup());
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SimIdxOutput(pCon, SicsOutFunc, 10);
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@ -130,14 +131,19 @@ static int RunIndexCmd(pSICSOBJ self, SConnection * pCon, pHdb commandNode,
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SimIdxAddReflection(z1);
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}
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nSol = GetHipadabaNode(self->objectNode,"nsolutions");
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assert(nSol != NULL);
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status = SimIdxRun();
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filterSolutions();
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if (status == 1) {
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if (SimIdxGetNSolutions() < 1) {
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SCWrite(pCon, "No solutions were found", eLog);
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UpdateHipadabaPar(nSol,MakeHdbInt(0), pCon);
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return 0;
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}
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SCWrite(pCon, "Indexing Suggestions:", eLog);
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UpdateHipadabaPar(nSol,MakeHdbInt(SimIdxGetNSolutions()), pCon);
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for (i = 0; i < SimIdxGetNSolutions(); i++) {
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is = SimIdxGetSolution(i);
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SCPrintf(pCon, eLog, "Solution No : %d, GOF = %6.3f", i,
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@ -158,6 +164,7 @@ static int RunIndexCmd(pSICSOBJ self, SConnection * pCon, pHdb commandNode,
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}
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}
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}
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return status;
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}
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/*-----------------------------------------------------------------------*/
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@ -302,6 +309,9 @@ void InitSimpleIndex(SConnection * pCon, SicsInterp * pSics)
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AppendHipadabaCallback(cmd, MakeHipadabaCallback(SetAngLim, NULL, NULL));
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SetHdbProperty(cmd, "__save", "true");
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cmd = AddSICSHdbPar(pNew->objectNode, "nsolutions", usUser,
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MakeHdbInt(0));
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cmd = AddSICSHdbPar(pNew->objectNode, "run", usUser,
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MakeSICSFunc(RunIndexCmd));
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