LCOV - code coverage report

Current view: top level - tools - RMSD.cpp (source / functions) Hit Total Coverage Test: plumed test coverage Lines: 557 790 70.5 % Date: 2025-12-04 11:19:34 Functions: 46 82 56.1 %

Function Name	Hit count
_ZN4PLMD12RMSDCoreData10doCoreCalcEbbb	80496
_ZN4PLMD12RMSDCoreData11getDistanceEb	125688
_ZN4PLMD12RMSDCoreData18getPositionsCenterEv	210
_ZN4PLMD12RMSDCoreData18getReferenceCenterEv	0
_ZN4PLMD12RMSDCoreData20getCenteredPositionsEv	78731
_ZN4PLMD12RMSDCoreData20getCenteredReferenceEv	78521
_ZN4PLMD12RMSDCoreData22getDDistanceDPositionsEv	124386
_ZN4PLMD12RMSDCoreData22getDDistanceDReferenceEv	1
_ZN4PLMD12RMSDCoreData22getDRotationDPositionsEb	78731
_ZN4PLMD12RMSDCoreData22getDRotationDReferenceEb	0
_ZN4PLMD12RMSDCoreData26getDDistanceDReferenceSOMAEv	0
_ZN4PLMD12RMSDCoreData28doCoreCalcWithCloseStructureEbbRKNS_11TensorTypedIdLj3ELj3EEES4_RSt5arrayIS5_IS2_Lm3EELm3EE	45192
_ZN4PLMD12RMSDCoreData30getAlignedPositionsToReferenceEv	78521
_ZN4PLMD12RMSDCoreData30getAlignedReferenceToPositionsEv	0
_ZN4PLMD12RMSDCoreData37getRotationMatrixPositionsToReferenceEv	78731
_ZN4PLMD12RMSDCoreData37getRotationMatrixReferenceToPositionsEv	1764
_ZN4PLMD4RMSD11getDisplaceEv	0
_ZN4PLMD4RMSD11setDisplaceERKSt6vectorIdSaIdEEb	14345
_ZN4PLMD4RMSD12setReferenceERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EE	59553
_ZN4PLMD4RMSD14calc_DDistDRefERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EERS5_S8_b	1
_ZN4PLMD4RMSD16calc_FitElementsERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EERNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixIS5_EERS5_RS3_b	210
_ZN4PLMD4RMSD18calc_Rot_DRotDRr01ERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EERNS_11TensorTypedIdLj3ELj3EEERSt5arrayISB_IS9_Lm3EELm3EEb	1092
_ZN4PLMD4RMSD20optimalAlignment_FitILb0ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EERSC_RS9_b	0
_ZN4PLMD4RMSD20optimalAlignment_FitILb0ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EERSC_RS9_b	0
_ZN4PLMD4RMSD20optimalAlignment_FitILb1ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EERSC_RS9_b	60
_ZN4PLMD4RMSD20optimalAlignment_FitILb1ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EERSC_RS9_b	150
_ZN4PLMD4RMSD27calc_DDistDRef_Rot_DRotDPosERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EERS5_S8_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixIS5_EEb	0
_ZN4PLMD4RMSD27calculateWithCloseStructureERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EERS5_RKNS_11TensorTypedIdLj3ELj3EEESC_RSt5arrayISD_ISA_Lm3EELm3EEb	45192
_ZN4PLMD4RMSD36calc_DDistDRef_Rot_DRotDPos_DRotDRefERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EERS5_S8_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixIS5_EESE_b	0
_ZN4PLMD4RMSD3setERKNS_3PDBERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEbb	1190
_ZN4PLMD4RMSD3setERKSt6vectorIdSaIdEES5_RKS1_INS_11VectorTypedIdLj3EEESaIS7_EERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEbb	14345
_ZN4PLMD4RMSD5clearEv	13159
_ZN4PLMD4RMSD7setTypeERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE	59537
_ZN4PLMD4RMSD8calc_RotERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EERS5_RNS_11TensorTypedIdLj3ELj3EEEb	672
_ZN4PLMD4RMSD8getAlignEv	0
_ZN4PLMD4RMSD8setAlignERKSt6vectorIdSaIdEEbb	14345
_ZN4PLMD4RMSD9calc_SOMAERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EERS5_S8_b	0
_ZN4PLMD4RMSDC2Ev	46946
_ZN4PLMD9make_viewINS_11VectorTypedIdLj3EEEEENS_4ViewIT_Lm18446744073709551615EEERKSt6vectorIS4_SaIS4_EE	710962
_ZNK4PLMD12RMSDCoreData17getDRotationDRr01Ev	1092
_ZNK4PLMD4RMSD12getReferenceEv	146710
_ZNK4PLMD4RMSD15simpleAlignmentERKSt6vectorIdSaIdEES5_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS1_IS8_SaIS8_EERSB_SE_b	47699
_ZNK4PLMD4RMSD16calc_PCAelementsERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EERS5_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixIS5_EES8_S8_S8_b	78521
_ZNK4PLMD4RMSD16optimalAlignmentILb0ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_b	2
_ZNK4PLMD4RMSD16optimalAlignmentILb0ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_b	315476
_ZNK4PLMD4RMSD16optimalAlignmentILb1ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_b	112
_ZNK4PLMD4RMSD16optimalAlignmentILb1ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_b	415146
_ZNK4PLMD4RMSD20optimalAlignment_PCAILb0ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_SF_RNS_11TensorTypedIdLj3ELj3EEESF_RNS_6MatrixISC_EEb	0
_ZNK4PLMD4RMSD20optimalAlignment_PCAILb0ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_SF_RNS_11TensorTypedIdLj3ELj3EEESF_RNS_6MatrixISC_EEb	75619
_ZNK4PLMD4RMSD20optimalAlignment_PCAILb1ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_SF_RNS_11TensorTypedIdLj3ELj3EEESF_RNS_6MatrixISC_EEb	39
_ZNK4PLMD4RMSD20optimalAlignment_PCAILb1ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_SF_RNS_11TensorTypedIdLj3ELj3EEESF_RNS_6MatrixISC_EEb	2863
_ZNK4PLMD4RMSD20optimalAlignment_RotILb0ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_RNS_11TensorTypedIdLj3ELj3EEEb	0
_ZNK4PLMD4RMSD20optimalAlignment_RotILb0ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_RNS_11TensorTypedIdLj3ELj3EEEb	0
_ZNK4PLMD4RMSD20optimalAlignment_RotILb1ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_RNS_11TensorTypedIdLj3ELj3EEEb	0
_ZNK4PLMD4RMSD20optimalAlignment_RotILb1ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_RNS_11TensorTypedIdLj3ELj3EEEb	672
_ZNK4PLMD4RMSD21optimalAlignment_SOMAILb0ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_b	0
_ZNK4PLMD4RMSD21optimalAlignment_SOMAILb0ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_b	0
_ZNK4PLMD4RMSD21optimalAlignment_SOMAILb1ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_b	0
_ZNK4PLMD4RMSD21optimalAlignment_SOMAILb1ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_b	0
_ZNK4PLMD4RMSD26optimalAlignment_DDistDRefILb0ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_b	0
_ZNK4PLMD4RMSD26optimalAlignment_DDistDRefILb0ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_b	0
_ZNK4PLMD4RMSD26optimalAlignment_DDistDRefILb1ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_b	1
_ZNK4PLMD4RMSD26optimalAlignment_DDistDRefILb1ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_b	0
_ZNK4PLMD4RMSD30optimalAlignment_Rot_DRotDRr01ILb0ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERNS_11TensorTypedIdLj3ELj3EEERSt5arrayISI_ISG_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD30optimalAlignment_Rot_DRotDRr01ILb0ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERNS_11TensorTypedIdLj3ELj3EEERSt5arrayISI_ISG_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD30optimalAlignment_Rot_DRotDRr01ILb1ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERNS_11TensorTypedIdLj3ELj3EEERSt5arrayISI_ISG_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD30optimalAlignment_Rot_DRotDRr01ILb1ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERNS_11TensorTypedIdLj3ELj3EEERSt5arrayISI_ISG_Lm3EELm3EEb	1092
_ZNK4PLMD4RMSD34optimalAlignmentWithCloseStructureILb0ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_RKNS_11TensorTypedIdLj3ELj3EEESJ_RSt5arrayISK_ISH_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD34optimalAlignmentWithCloseStructureILb0ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_RKNS_11TensorTypedIdLj3ELj3EEESJ_RSt5arrayISK_ISH_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD34optimalAlignmentWithCloseStructureILb1ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_RKNS_11TensorTypedIdLj3ELj3EEESJ_RSt5arrayISK_ISH_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD34optimalAlignmentWithCloseStructureILb1ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_RKNS_11TensorTypedIdLj3ELj3EEESJ_RSt5arrayISK_ISH_Lm3EELm3EEb	45192
_ZNK4PLMD4RMSD39optimalAlignment_DDistDRef_Rot_DRotDPosILb0ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EEb	0
_ZNK4PLMD4RMSD39optimalAlignment_DDistDRef_Rot_DRotDPosILb0ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EEb	0
_ZNK4PLMD4RMSD39optimalAlignment_DDistDRef_Rot_DRotDPosILb1ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EEb	0
_ZNK4PLMD4RMSD39optimalAlignment_DDistDRef_Rot_DRotDPosILb1ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EEb	0
_ZNK4PLMD4RMSD48optimalAlignment_DDistDRef_Rot_DRotDPos_DRotDRefILb0ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EESL_b	0
_ZNK4PLMD4RMSD48optimalAlignment_DDistDRef_Rot_DRotDPos_DRotDRefILb0ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EESL_b	0
_ZNK4PLMD4RMSD48optimalAlignment_DDistDRef_Rot_DRotDPos_DRotDRefILb1ELb0EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EESL_b	0
_ZNK4PLMD4RMSD48optimalAlignment_DDistDRef_Rot_DRotDPos_DRotDRefILb1ELb1EEEdRKSt6vectorIdSaIdEES6_NS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERKS2_IS9_SaIS9_EERSC_SF_RNS_11TensorTypedIdLj3ELj3EEERNS_6MatrixISC_EESL_b	0
_ZNK4PLMD4RMSD9calculateENS_4ViewINS_11VectorTypedIdLj3EEELm18446744073709551615EEERSt6vectorIS3_SaIS3_EEb	730866
_ZNK4PLMD4RMSD9calculateERKSt6vectorINS_11VectorTypedIdLj3EEESaIS3_EERS5_b	585274
_ZNK4PLMD4RMSD9getMethodB5cxx11Ev	36

Generated by: LCOV version 1.16