added multiseed refinement

include/PinkIndexer.h

@@ -38,7 +38,8 @@ class PinkIndexer
         none,
         fixedLatticeParameters,
         variableLatticeParameters,
-        firstFixedThenVariableLatticeParameters
+        firstFixedThenVariableLatticeParameters,
+        firstFixedThenVariableLatticeParametersMultiSeed
     };
 
     PinkIndexer(const ExperimentSettings& experimentSettings, ConsideredPeaksCount consideredPeaksCount, AngleResolution angleResolution,

include/adaptions/crystfel/PinkIndexer.h

@@ -34,6 +34,7 @@ typedef enum {
     REFINEMENT_TYPE_fixedLatticeParameters = 1,
     REFINEMENT_TYPE_variableLatticeParameters = 2,
     REFINEMENT_TYPE_firstFixedThenVariableLatticeParameters = 3,
+    REFINEMENT_TYPE_firstFixedThenVariableLatticeParametersMultiSeed = 4,
 
     REFINEMENT_TYPE_lastEnum
 } refinementType_t;

src/PinkIndexer.cpp

@@ -89,6 +89,35 @@ int PinkIndexer::indexPattern(Lattice& indexedLattice, Eigen::Array<bool, Eigen:
             refinement.setTolerance(finalRefinementTolerance);
             refinement.refineVariableLattice(indexedLattice, ucsDirections, ucsBorderNorms);
             break;
+        case RefinementType::firstFixedThenVariableLatticeParametersMultiSeed:
+        {
+            Lattice bestLattice = indexedLattice;
+            int maxFittedNodesCount = refinement.getFittedPeaks(indexedLattice, fittedPeaks, ucsDirections, ucsBorderNorms);
+
+            float maxRelativeDeviation = 0.01;
+            Array<float, 1, 3> columnDeviationNorms = indexedLattice.getBasis().colwise().norm() * maxRelativeDeviation;
+            for (uint32_t i = 0; i < 16; ++i)
+            {
+                Matrix3f currentBasis = indexedLattice.getBasis() + (Array33f::Random().rowwise() * columnDeviationNorms ).matrix();
+                Lattice currentLattice(currentBasis);
+
+                refinement.setTolerance(min(finalRefinementTolerance * 2.5, 0.12));
+                refinement.refineFixedLattice(currentLattice, ucsDirections, ucsBorderNorms);
+                refinement.setTolerance(min(finalRefinementTolerance * 1.8, 0.10));
+                refinement.refineVariableLattice(currentLattice, ucsDirections, ucsBorderNorms);
+                refinement.setTolerance(finalRefinementTolerance);
+                refinement.refineVariableLattice(currentLattice, ucsDirections, ucsBorderNorms);
+
+                int fittedNodesCount = refinement.getFittedPeaks(currentLattice, fittedPeaks, ucsDirections, ucsBorderNorms);
+                if (fittedNodesCount > maxFittedNodesCount)
+                {
+                    maxFittedNodesCount = fittedNodesCount;
+                    bestLattice = currentLattice;
+                }
+            }
+            indexedLattice = bestLattice;
+        }
+        break;
         default:
             break;
     }

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_firstFixedThenVariableLatticeParametersMultiSeed:
+            refinementType_enumClass = PinkIndexer::RefinementType::firstFixedThenVariableLatticeParametersMultiSeed;
+            break;
 
         default:
             refinementType_enumClass = PinkIndexer::RefinementType::fixedLatticeParameters;