fix_merged_scores.hh
00001 // fix_merge_scores.hh 00002 // 00003 // If a merged file is being tested for undermerging, the scores for symmetry elements present 00004 // in the the merging pointgroup group need to be set to indicate that that element is 00005 // definitely assumed to be present 00006 // 00007 00008 00009 #ifndef FIX_MERGE_SCORES_HEADER 00010 #define FIX_MERGE_SCORES_HEADER 00011 00012 // Clipper 00013 #include <clipper/clipper.h> 00014 00015 #include "setscores.hh" 00016 #include "scsignificance.hh" 00017 #include "hkl_symmetry.hh" 00018 #include "Output.hh" 00019 #include "io_files.hh" 00020 using phaser_io::LOGFILE; 00021 00022 00023 namespace scala { 00024 RefListType FixMergedSymmScores(std::vector<SetScores>& scores, 00025 std::vector<SCsignificance>& CCsig, 00026 const RefListType& HklinIsMerged, 00027 const hkl_symmetry& fileSymm, 00028 const hkl_symmetry& latticeSymm, 00029 const ReindexOp& latticereindex, 00030 phaser_io::Output& output); 00031 // 00032 // Returns MERGED or UNMERGED 00033 // 00034 // On entry: 00035 // scores for each symmetry element, CC & Rfactor 00036 // CCsig for each symmetry element, significance etc 00037 // HklinIsMerged MERGED or UNMERGED, or NONE if unknown 00038 // fileSymm symmetry in input file, ie symmetry used for previous merging 00039 // latticeSymm lattice symmetry used for symmetry testing 00040 // latticereindex reindex operator from original file to current lattice 00041 // output 00042 // 00043 // On exit: 00044 // scores for symmetry elements in fileSymm, CC=1.0, R = 0.0 00045 // CCsig for symmetry elements in fileSymm, likelihood = 1.0 00046 00047 //-------------------------------------------------------------- 00048 // Return true if the islat'th symmetry element of latticeSymm is 00049 // present in mergeGroup 00050 bool ElementIsInGroup(const hkl_symmetry& latticeSymm, const int& islat, 00051 const hkl_symmetry& mergeGroup); 00052 00053 } // namespace scala 00054 #endif
