- 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
This commit is contained in:
koennecke
2009-08-13 07:28:44 +00:00
parent eb5025ab3b
commit 98009be4c3
22 changed files with 653 additions and 80 deletions

View File

@ -115,8 +115,9 @@ static int RunIndexCmd(pSICSOBJ self, SConnection * pCon, pHdb commandNode,
double ang[4], z1[3];
IndexSolution is;
MATRIX ub;
pHdb nSol = NULL;
SimIdxSetLambda(SXGetLambda());
SimIdxSetLambda(SXGetLambda());
SimIdxSetCell((double *) SXGetCell());
SimIdxSetSpacegroup(SXGetSpaceGroup());
SimIdxOutput(pCon, SicsOutFunc, 10);
@ -130,14 +131,19 @@ static int RunIndexCmd(pSICSOBJ self, SConnection * pCon, pHdb commandNode,
SimIdxAddReflection(z1);
}
nSol = GetHipadabaNode(self->objectNode,"nsolutions");
assert(nSol != NULL);
status = SimIdxRun();
filterSolutions();
if (status == 1) {
if (SimIdxGetNSolutions() < 1) {
SCWrite(pCon, "No solutions were found", eLog);
UpdateHipadabaPar(nSol,MakeHdbInt(0), pCon);
return 0;
}
SCWrite(pCon, "Indexing Suggestions:", eLog);
UpdateHipadabaPar(nSol,MakeHdbInt(SimIdxGetNSolutions()), pCon);
for (i = 0; i < SimIdxGetNSolutions(); i++) {
is = SimIdxGetSolution(i);
SCPrintf(pCon, eLog, "Solution No : %d, GOF = %6.3f", i,
@ -158,6 +164,7 @@ static int RunIndexCmd(pSICSOBJ self, SConnection * pCon, pHdb commandNode,
}
}
}
return status;
}
/*-----------------------------------------------------------------------*/
@ -302,6 +309,9 @@ void InitSimpleIndex(SConnection * pCon, SicsInterp * pSics)
AppendHipadabaCallback(cmd, MakeHipadabaCallback(SetAngLim, NULL, NULL));
SetHdbProperty(cmd, "__save", "true");
cmd = AddSICSHdbPar(pNew->objectNode, "nsolutions", usUser,
MakeHdbInt(0));
cmd = AddSICSHdbPar(pNew->objectNode, "run", usUser,
MakeSICSFunc(RunIndexCmd));