added multi seed lengths refinement

include/PinkIndexer.h

@@ -39,6 +39,7 @@ class PinkIndexer
         fixedLatticeParameters,
         variableLatticeParameters,
         firstFixedThenVariableLatticeParameters,
+        firstFixedThenVariableLatticeParametersMultiSeedLengths,
         firstFixedThenVariableLatticeParametersMultiSeed
     };
 

include/adaptions/crystfel/PinkIndexer.h

@@ -34,7 +34,8 @@ typedef enum {
     REFINEMENT_TYPE_fixedLatticeParameters = 1,
     REFINEMENT_TYPE_variableLatticeParameters = 2,
     REFINEMENT_TYPE_firstFixedThenVariableLatticeParameters = 3,
-    REFINEMENT_TYPE_firstFixedThenVariableLatticeParametersMultiSeed = 4,
+    REFINEMENT_TYPE_firstFixedThenVariableLatticeParametersMultiSeedLengths = 4,
+    REFINEMENT_TYPE_firstFixedThenVariableLatticeParametersMultiSeed = 5,
 
     REFINEMENT_TYPE_lastEnum
 } refinementType_t;

src/PinkIndexer.cpp

@@ -99,17 +99,58 @@ void PinkIndexer::refine(Lattice& indexedLattice, const Matrix3Xf& ucsDirections
             refinement.setTolerance(finalRefinementTolerance);
             refinement.refineVariableLattice(indexedLattice, ucsDirections, ucsBorderNorms);
             break;
+        case RefinementType::firstFixedThenVariableLatticeParametersMultiSeedLengths:
+        {
+            constexpr unsigned refinemenTries = 750;
+            int fittedNodesCount[refinemenTries];
+            double fittedNodesMeanDefects[refinemenTries];
+            Lattice fittedLattices[refinemenTries];
+
+            float maxRelativeDeviation = 0.0125;
+#pragma omp parallel for
+            for (int i = 0; i < refinemenTries; ++i)
+            {
+                Refinement refinement(finalRefinementTolerance);
+
+                Matrix3f currentBasis = (indexedLattice.getBasis().array().rowwise() * (Array<float, 1, 3>::Random() * maxRelativeDeviation + 1)).array();
+                fittedLattices[i] = Lattice(currentBasis);
+
+                refinement.setTolerance(min(finalRefinementTolerance * 2.5, 0.12));
+                refinement.refineFixedLattice(fittedLattices[i], ucsDirections, ucsBorderNorms);
+                refinement.setTolerance(min(finalRefinementTolerance * 1.8, 0.10));
+                refinement.refineVariableLattice(fittedLattices[i], ucsDirections, ucsBorderNorms);
+                refinement.setTolerance(finalRefinementTolerance);
+                refinement.refineVariableLattice(fittedLattices[i], ucsDirections, ucsBorderNorms);
+
+                fittedNodesCount[i] = refinement.getFittedPeaksCount(fittedLattices[i], ucsDirections, ucsBorderNorms);
+                fittedNodesMeanDefects[i] = refinement.getMeanDefect(fittedLattices[i].getBasis(), ucsDirections, ucsBorderNorms);
+            }
+
+            int maxFittedNodesCount = refinement.getFittedPeaksCount(indexedLattice, ucsDirections, ucsBorderNorms);
+            double minFittedNodesMeanDefect = refinement.getMeanDefect(indexedLattice.getBasis(), ucsDirections, ucsBorderNorms);
+            for (int i = 0; i < refinemenTries; ++i)
+            {
+                if (fittedNodesCount[i] > maxFittedNodesCount ||
+                    (fittedNodesCount[i] == maxFittedNodesCount && fittedNodesMeanDefects[i] < minFittedNodesMeanDefect))
+                {
+                    maxFittedNodesCount = fittedNodesCount[i];
+                    minFittedNodesMeanDefect = fittedNodesMeanDefects[i];
+                    indexedLattice = fittedLattices[i];
+                }
+            }
+        }
+        break;
         case RefinementType::firstFixedThenVariableLatticeParametersMultiSeed:
         {
-#define REFINEMENT_TRIES 750
-            int fittedNodesCount[REFINEMENT_TRIES];
-            double fittedNodesMeanDefects[REFINEMENT_TRIES];
-            Lattice fittedLattices[REFINEMENT_TRIES];
+            constexpr unsigned refinementTries = 750;
+            int fittedNodesCount[refinementTries];
+            double fittedNodesMeanDefects[refinementTries];
+            Lattice fittedLattices[refinementTries];
 
             float maxRelativeDeviation = 0.0125;
             Array<float, 1, 3> columnDeviationNorms = indexedLattice.getBasis().colwise().norm() * maxRelativeDeviation;
 #pragma omp parallel for
-            for (int i = 0; i < REFINEMENT_TRIES; ++i)
+            for (int i = 0; i < refinementTries; ++i)
             {
                 Refinement refinement(finalRefinementTolerance);
 
@@ -129,9 +170,10 @@ void PinkIndexer::refine(Lattice& indexedLattice, const Matrix3Xf& ucsDirections
 
             int maxFittedNodesCount = refinement.getFittedPeaksCount(indexedLattice, ucsDirections, ucsBorderNorms);
             double minFittedNodesMeanDefect = refinement.getMeanDefect(indexedLattice.getBasis(), ucsDirections, ucsBorderNorms);
-            for (int i = 0; i < REFINEMENT_TRIES; ++i)
+            for (int i = 0; i < refinementTries; ++i)
             {
-                if (fittedNodesCount[i] > maxFittedNodesCount || (fittedNodesCount[i] == maxFittedNodesCount && fittedNodesMeanDefects[i] < minFittedNodesMeanDefect))
+                if (fittedNodesCount[i] > maxFittedNodesCount ||
+                    (fittedNodesCount[i] == maxFittedNodesCount && fittedNodesMeanDefects[i] < minFittedNodesMeanDefect))
                 {
                     maxFittedNodesCount = fittedNodesCount[i];
                     minFittedNodesMeanDefect = fittedNodesMeanDefects[i];

src/adaptions/crystfel/PinkIndexer.cpp

@@ -70,6 +70,9 @@ extern "C" PinkIndexer* PinkIndexer_new(ExperimentSettings* experimentSettings,
         case REFINEMENT_TYPE_firstFixedThenVariableLatticeParameters:
             refinementType_enumClass = PinkIndexer::RefinementType::firstFixedThenVariableLatticeParameters;
             break;
+        case REFINEMENT_TYPE_firstFixedThenVariableLatticeParametersMultiSeedLengths:
+            refinementType_enumClass = PinkIndexer::RefinementType::firstFixedThenVariableLatticeParametersMultiSeedLengths;
+            break;
         case REFINEMENT_TYPE_firstFixedThenVariableLatticeParametersMultiSeed:
             refinementType_enumClass = PinkIndexer::RefinementType::firstFixedThenVariableLatticeParametersMultiSeed;
             break;