LCOV - code coverage report

Current view: top level - tools - RMSD.cpp (source / functions) Hit Total Coverage Test: plumed test coverage Lines: 556 735 75.6 % Date: 2024-10-18 13:59:31 Functions: 44 80 55.0 %

Function Name	Hit count
_ZN4PLMD12RMSDCoreData18getReferenceCenterEv	0
_ZN4PLMD12RMSDCoreData22getDRotationDReferenceEb	0
_ZN4PLMD12RMSDCoreData26getDDistanceDReferenceSOMAEv	0
_ZN4PLMD12RMSDCoreData30getAlignedReferenceToPositionsEv	0
_ZN4PLMD4RMSD11getDisplaceEv	0
_ZN4PLMD4RMSD20optimalAlignment_FitILb0ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EERSA_RS8_b	0
_ZN4PLMD4RMSD20optimalAlignment_FitILb0ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EERSA_RS8_b	0
_ZN4PLMD4RMSD27calc_DDistDRef_Rot_DRotDPosERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EERS5_S8_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixIS5_EEb	0
_ZN4PLMD4RMSD36calc_DDistDRef_Rot_DRotDPos_DRotDRefERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EERS5_S8_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixIS5_EESE_b	0
_ZN4PLMD4RMSD8getAlignEv	0
_ZN4PLMD4RMSD9calc_SOMAERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EERS5_S8_b	0
_ZNK4PLMD4RMSD20optimalAlignment_PCAILb0ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_SD_RNS_13TensorGenericILj3ELj3EEESD_RNS_6MatrixISA_EEb	0
_ZNK4PLMD4RMSD20optimalAlignment_RotILb0ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_RNS_13TensorGenericILj3ELj3EEEb	0
_ZNK4PLMD4RMSD20optimalAlignment_RotILb0ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_RNS_13TensorGenericILj3ELj3EEEb	0
_ZNK4PLMD4RMSD20optimalAlignment_RotILb1ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_RNS_13TensorGenericILj3ELj3EEEb	0
_ZNK4PLMD4RMSD21optimalAlignment_SOMAILb0ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_b	0
_ZNK4PLMD4RMSD21optimalAlignment_SOMAILb0ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_b	0
_ZNK4PLMD4RMSD21optimalAlignment_SOMAILb1ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_b	0
_ZNK4PLMD4RMSD21optimalAlignment_SOMAILb1ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_b	0
_ZNK4PLMD4RMSD26optimalAlignment_DDistDRefILb0ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_b	0
_ZNK4PLMD4RMSD26optimalAlignment_DDistDRefILb0ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_b	0
_ZNK4PLMD4RMSD26optimalAlignment_DDistDRefILb1ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_b	0
_ZNK4PLMD4RMSD30optimalAlignment_Rot_DRotDRr01ILb0ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RNS_13TensorGenericILj3ELj3EEERSt5arrayISG_ISE_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD30optimalAlignment_Rot_DRotDRr01ILb0ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RNS_13TensorGenericILj3ELj3EEERSt5arrayISG_ISE_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD30optimalAlignment_Rot_DRotDRr01ILb1ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RNS_13TensorGenericILj3ELj3EEERSt5arrayISG_ISE_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD34optimalAlignmentWithCloseStructureILb0ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_RKNS_13TensorGenericILj3ELj3EEESH_RSt5arrayISI_ISF_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD34optimalAlignmentWithCloseStructureILb0ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_RKNS_13TensorGenericILj3ELj3EEESH_RSt5arrayISI_ISF_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD34optimalAlignmentWithCloseStructureILb1ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_RKNS_13TensorGenericILj3ELj3EEESH_RSt5arrayISI_ISF_Lm3EELm3EEb	0
_ZNK4PLMD4RMSD39optimalAlignment_DDistDRef_Rot_DRotDPosILb0ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EEb	0
_ZNK4PLMD4RMSD39optimalAlignment_DDistDRef_Rot_DRotDPosILb0ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EEb	0
_ZNK4PLMD4RMSD39optimalAlignment_DDistDRef_Rot_DRotDPosILb1ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EEb	0
_ZNK4PLMD4RMSD39optimalAlignment_DDistDRef_Rot_DRotDPosILb1ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EEb	0
_ZNK4PLMD4RMSD48optimalAlignment_DDistDRef_Rot_DRotDPos_DRotDRefILb0ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EESJ_b	0
_ZNK4PLMD4RMSD48optimalAlignment_DDistDRef_Rot_DRotDPos_DRotDRefILb0ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EESJ_b	0
_ZNK4PLMD4RMSD48optimalAlignment_DDistDRef_Rot_DRotDPos_DRotDRefILb1ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EESJ_b	0
_ZNK4PLMD4RMSD48optimalAlignment_DDistDRef_Rot_DRotDPos_DRotDRefILb1ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EESJ_b	0
_ZN4PLMD12RMSDCoreData22getDDistanceDReferenceEv	1
_ZN4PLMD4RMSD14calc_DDistDRefERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EERS5_S8_b	1
_ZNK4PLMD4RMSD26optimalAlignment_DDistDRefILb1ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_b	1
_ZNK4PLMD4RMSD16optimalAlignmentILb0ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_b	2
_ZN4PLMD4RMSD9getMethodB5cxx11Ev	5
_ZNK4PLMD4RMSD20optimalAlignment_PCAILb1ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_SD_RNS_13TensorGenericILj3ELj3EEESD_RNS_6MatrixISA_EEb	39
_ZN4PLMD4RMSD20optimalAlignment_FitILb1ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EERSA_RS8_b	60
_ZNK4PLMD4RMSD16optimalAlignmentILb1ELb0EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_b	112
_ZN4PLMD4RMSD20optimalAlignment_FitILb1ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixISA_EERSA_RS8_b	150
_ZN4PLMD12RMSDCoreData18getPositionsCenterEv	210
_ZN4PLMD4RMSD16calc_FitElementsERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EERNS_13TensorGenericILj3ELj3EEERNS_6MatrixIS5_EERS5_RS3_RKb	210
_ZN4PLMD4RMSD8calc_RotERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EERS5_RNS_13TensorGenericILj3ELj3EEEb	672
_ZNK4PLMD4RMSD20optimalAlignment_RotILb1ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_RNS_13TensorGenericILj3ELj3EEEb	672
_ZNK4PLMD4RMSD15simpleAlignmentERKSt6vectorIdSaIdEES5_RKS1_INS_13VectorGenericILj3EEESaIS7_EESB_RS9_SC_b	774
_ZN4PLMD4RMSD18calc_Rot_DRotDRr01ERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EERNS_13TensorGenericILj3ELj3EEERSt5arrayISB_IS9_Lm3EELm3EEb	1092
_ZNK4PLMD12RMSDCoreData17getDRotationDRr01Ev	1092
_ZNK4PLMD4RMSD30optimalAlignment_Rot_DRotDRr01ILb1ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RNS_13TensorGenericILj3ELj3EEERSt5arrayISG_ISE_Lm3EELm3EEb	1092
_ZN4PLMD4RMSD3setERKNS_3PDBERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEbb	1189
_ZN4PLMD12RMSDCoreData37getRotationMatrixReferenceToPositionsEv	1764
_ZNK4PLMD4RMSD20optimalAlignment_PCAILb1ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_SD_RNS_13TensorGenericILj3ELj3EEESD_RNS_6MatrixISA_EEb	2863
_ZN4PLMD4RMSD5clearEv	11988
_ZN4PLMD4RMSD11setDisplaceERKSt6vectorIdSaIdEEb	13173
_ZN4PLMD4RMSD3setERKSt6vectorIdSaIdEES5_RKS1_INS_13VectorGenericILj3EEESaIS7_EERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEbb	13173
_ZN4PLMD4RMSD8setAlignERKSt6vectorIdSaIdEEbb	13173
_ZN4PLMD12RMSDCoreData28doCoreCalcWithCloseStructureEbbRKNS_13TensorGenericILj3ELj3EEES4_RSt5arrayIS5_IS2_Lm3EELm3EE	45192
_ZN4PLMD4RMSD27calculateWithCloseStructureERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EERS5_RKNS_13TensorGenericILj3ELj3EEESC_RSt5arrayISD_ISA_Lm3EELm3EEb	45192
_ZNK4PLMD4RMSD34optimalAlignmentWithCloseStructureILb1ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_RKNS_13TensorGenericILj3ELj3EEESH_RSt5arrayISI_ISF_Lm3EELm3EEb	45192
_ZN4PLMD4RMSDC2Ev	46865
_ZNK4PLMD4RMSD20optimalAlignment_PCAILb0ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_SD_SD_RNS_13TensorGenericILj3ELj3EEESD_RNS_6MatrixISA_EEb	53779
_ZN4PLMD12RMSDCoreData20getCenteredReferenceEv	56681
_ZN4PLMD12RMSDCoreData30getAlignedPositionsToReferenceEv	56681
_ZNK4PLMD4RMSD16calc_PCAelementsERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EERS5_RNS_13TensorGenericILj3ELj3EEERNS_6MatrixIS5_EES8_S8_S8_RKb	56681
_ZN4PLMD12RMSDCoreData20getCenteredPositionsEv	56891
_ZN4PLMD12RMSDCoreData22getDRotationDPositionsEb	56891
_ZN4PLMD12RMSDCoreData37getRotationMatrixPositionsToReferenceEv	56891
_ZN4PLMD4RMSD7setTypeERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE	58365
_ZN4PLMD4RMSD12setReferenceERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EE	58381
_ZN4PLMD12RMSDCoreData10doCoreCalcEbbb	58656
_ZNK4PLMD4RMSD12getReferenceEv	101427
_ZN4PLMD12RMSDCoreData22getDDistanceDPositionsEv	102546
_ZN4PLMD12RMSDCoreData11getDistanceEb	103848
_ZNK4PLMD4RMSD16optimalAlignmentILb0ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_b	197608
_ZNK4PLMD4RMSD16optimalAlignmentILb1ELb1EEEdRKSt6vectorIdSaIdEES6_RKS2_INS_13VectorGenericILj3EEESaIS8_EESC_RSA_b	366914
_ZNK4PLMD4RMSD9calculateERKSt6vectorINS_13VectorGenericILj3EEESaIS3_EERS5_b	564764

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