Flat profile: Each sample counts as 0.01 seconds. % cumulative self self total time seconds seconds calls s/call s/call name 22.38 4.09 4.09 9667081 0.00 0.00 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom 16.19 7.05 2.96 38472552 0.00 0.00 ._ZN5SAtom9GetChargeEv 10.78 9.02 1.97 1 1.97 17.68 ._ZN9Featurize23RunPointEnvironmentModeEv 6.89 10.28 1.26 29112383 0.00 0.00 ._Z10IsStringInPKcS0_ 6.29 11.43 1.15 9667081 0.00 0.00 ._ZN5SAtom12GetVDWRadiusEv 5.96 12.52 1.09 9667081 0.00 0.00 ._ZN15SAtomProperties7SetTypeEP5SAtom 4.87 13.41 0.89 9667081 0.00 0.00 ._ZN5SAtom17GetHydrophobicityEv 4.49 14.23 0.82 9667081 0.00 0.00 ._ZN15SAtomProperties14SetResidueNameEP5SAtom 4.38 15.03 0.80 9667081 0.00 0.00 ._ZN15SAtomProperties18SetFunctionalGroupEP5SAtom 4.27 15.81 0.78 100464 0.00 0.00 ._ZN8Neighbor12GetNeighborsERK8SPoint3D 2.05 16.19 0.38 9674700 0.00 0.00 ._ZN10CAtomArray7GetAtomEi 1.64 16.49 0.30 9667081 0.00 0.00 ._ZN8SPoint3DaSERKS_ 1.20 16.71 0.22 26522496 0.00 0.00 ._ZN16CPropertiesArray16GetPropertyValueEi 1.09 16.91 0.20 ._ZN5SAtom16GetChainDistanceEv 0.98 17.09 0.18 602784 0.00 0.00 ._ZN16CPropertiesArrayC1Ev 0.82 17.24 0.15 9667081 0.00 0.00 ._ZNK8SPoint3D11GetDistanceERKS_ 0.66 17.36 0.12 ._ZNK8SPoint3D14GetDistanceSqrERKS_ 0.60 17.47 0.11 9689938 0.00 0.00 ._ZNK8CObArray5GetAtEi 0.60 17.58 0.11 819237 0.00 0.00 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE22insert_unique_noresizeERKS8_ 0.60 17.69 0.11 815435 0.00 0.00 ._ZNSt6vectorIiSaIiEE15_M_range_insertIN9__gnu_cxx17__normal_iteratorIPiS1_EEEEvS6_T_S7_St20forward_iterator_tag 0.55 17.79 0.10 678424 0.00 0.00 ._ZN16CPropertiesArray19UpdatePropertyArrayEP15SAtomProperties 0.41 17.86 0.08 9686398 0.00 0.00 ._ZN8CObArray7GetSizeEv 0.30 17.92 0.06 4072 0.00 0.00 ._ZN10CAtomArray8NumAtomsEv 0.27 17.97 0.05 9678768 0.00 0.00 ._ZN8SPoint3DC1Ev 0.27 18.02 0.05 ._Z8ParseIntPiPKcii 0.27 18.07 0.05 ._ZN15SAtomProperties16SetChargeWithHisEP5SAtom 0.25 18.11 0.05 100465 0.00 0.00 ._ZN17PdbidPointListMap6lookupESsb 0.16 18.14 0.03 ._ZN16CPropertiesArray7GetPropEPii 0.16 18.17 0.03 ._ZNK5SAtom12GetAtomLabelEPc 0.11 18.19 0.02 1 0.02 0.08 ._ZN17PdbidPointListMap4readEPKc 0.11 18.21 0.02 ._ZN15SAtomProperties10SetPeptideEP5SAtom 0.08 18.23 0.02 6 0.00 0.00 ._ZN8CObArrayD1Ev 0.05 18.24 0.01 1673558 0.00 0.00 ._Z9IsVerbosev 0.05 18.25 0.01 819237 0.00 0.00 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE6resizeEm 0.05 18.26 0.01 100464 0.00 0.00 ._ZN8SPoint3DC1Eddd 0.05 18.27 0.01 ._ZN15SAtomProperties22SetSecondaryStructure2EP5SAtom 0.05 18.28 0.01 ._ZN8SPoint3DC2Ev 0.03 18.28 0.01 ._ZN17PdbidPointListMapD2Ev 0.00 18.28 0.00 602784 0.00 0.00 ._ZN16CPropertiesArrayD1Ev 0.00 18.28 0.00 100464 0.00 0.00 ._ZN5Point5PrintEP8_IO_FILE 0.00 18.28 0.00 100464 0.00 0.00 ._ZN9PointList8GetPointEi 0.00 18.28 0.00 20340 0.00 0.00 ._Z11ParseDoublePdPKcii 0.00 18.28 0.00 16883 0.00 0.00 ._Z11ParseStringPcPKcii 0.00 18.28 0.00 12204 0.00 0.00 ._Z9ParseCharPcPKci 0.00 18.28 0.00 11689 0.00 0.00 ._ZN14CProteinObjectC2Ev 0.00 18.28 0.00 11689 0.00 0.00 ._ZN14CProteinObjectD2Ev 0.00 18.28 0.00 11687 0.00 0.00 ._ZN8CObArray3AddEP7CObject 0.00 18.28 0.00 11687 0.00 0.00 ._ZN8CObArray7SetSizeEii 0.00 18.28 0.00 8136 0.00 0.00 ._Z9ParseLongPlPKcii 0.00 18.28 0.00 7619 0.00 0.00 ._ZN10CAtomArray7AddAtomEP5SAtomb 0.00 18.28 0.00 7619 0.00 0.00 ._ZN5SAtomaSERS_ 0.00 18.28 0.00 4679 0.00 0.00 ._ZN11CLISPParser7GetLineEPc 0.00 18.28 0.00 4678 0.00 0.00 ._ZN8CProtein12ParsePDBLineEPKc 0.00 18.28 0.00 4632 0.00 0.00 ._ZN5SAtom12ParsePDBAtomEPKc 0.00 18.28 0.00 1136 0.00 0.00 ._ZNSt6vectorIiSaIiEE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPiS1_EERKi 0.00 18.28 0.00 517 0.00 0.00 ._ZN10CAtomArray11DecAtomMarkEi 0.00 18.28 0.00 251 0.00 0.00 ._ZN9__gnu_cxx19_Hashtable_iteratorISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EEppEv 0.00 18.28 0.00 128 0.00 0.00 ._Z5debugiPcz 0.00 18.28 0.00 18 0.00 0.00 ._ZNSt6vectorIP5PointSaIS1_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS1_S3_EERKS1_ 0.00 18.28 0.00 13 0.00 0.00 ._ZNSt6vectorIP8SPoint3DSaIS1_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS1_S3_EERKS1_ 0.00 18.28 0.00 6 0.00 0.00 ._ZN8CObArrayC1Ev 0.00 18.28 0.00 3 0.00 0.00 ._Z8tostringRK7StrList 0.00 18.28 0.00 3 0.00 0.00 ._ZSt11lower_boundIPKmmET_S2_S2_RKT0_ 0.00 18.28 0.00 2 0.00 0.00 ._Z15FindProteinFilePcPKcS1_PS1_ 0.00 18.28 0.00 2 0.00 0.00 ._Z8FindFilePcPPKcS2_S2_S2_ 0.00 18.28 0.00 2 0.00 0.00 ._ZN9__gnu_cxx19_Hashtable_iteratorISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EEppEv 0.00 18.28 0.00 2 0.00 0.00 ._ZNSt6vectorIPcSaIS0_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS0_S2_EERKS0_ 0.00 18.28 0.00 2 0.00 0.00 ._ZSt6fill_nIPPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEEmSB_ET_SD_T0_RKT1_ 0.00 18.28 0.00 2 0.00 0.00 ._ZlsRSoRK7StrList 0.00 18.28 0.00 1 0.00 0.00 ._Z11FindPdbFilePcPKcS1_ 0.00 18.28 0.00 1 0.00 0.00 ._Z11fatal_errorPcz 0.00 18.28 0.00 1 0.00 0.00 ._Z12FindDsspFilePcPKcS1_ 0.00 18.28 0.00 1 0.00 0.00 ._Z12GetCoordListP8CProtein 0.00 18.28 0.00 1 0.00 0.00 ._Z12GetNeighborsP10CAtomArrayP5SAtomd 0.00 18.28 0.00 1 0.00 0.00 ._Z12IsFileExistsPKc 0.00 18.28 0.00 1 0.00 0.00 ._Z12assign_typesP8CProteinP23ForceFieldParametersSetPc 0.00 18.28 0.00 1 0.00 0.06 ._Z22GetNonExcludedResiduesP10CAtomArrayR7StrList 0.00 18.28 0.00 1 0.00 0.00 ._ZN10CAtomArray18ExtractMarkedAtomsEi 0.00 18.28 0.00 1 0.00 0.00 ._ZN10CAtomArrayD1Ev 0.00 18.28 0.00 1 0.00 0.00 ._ZN10CAtomArrayD2Ev 0.00 18.28 0.00 1 0.00 0.00 ._ZN11CLISPParserC1EPKc 0.00 18.28 0.00 1 0.00 0.00 ._ZN15EnvironmentListC2EPKci 0.00 18.28 0.00 1 0.00 0.00 ._ZN16CPropertiesArray10GetWeightsEP10CScoreFilei 0.00 18.28 0.00 1 0.00 0.00 ._ZN17PdbidPointListMap12GetPointListEPKc 0.00 18.28 0.00 1 0.00 0.00 ._ZN17PdbidPointListMap7GetKeysEPPPKcPi 0.00 18.28 0.00 1 0.00 0.08 ._ZN17PdbidPointListMapC1EPKc 0.00 18.28 0.00 1 0.00 0.00 ._ZN17PdbidPointListMapD1Ev 0.00 18.28 0.00 1 0.00 0.00 ._ZN18ResidueTemplateSetC2EPKc 0.00 18.28 0.00 1 0.00 0.00 ._ZN23ForceFieldParametersSetC2EPKc 0.00 18.28 0.00 1 0.00 0.00 ._ZN7CParserD2Ev 0.00 18.28 0.00 1 0.00 0.00 ._ZN8CProtein12ReadDSSPFileEPKc 0.00 18.28 0.00 1 0.00 0.00 ._ZN8CProtein7GetNameEv 0.00 18.28 0.00 1 0.00 0.00 ._ZN8CProteinC1EPKc 0.00 18.28 0.00 1 0.00 0.01 ._ZN8CProteinD1Ev 0.00 18.28 0.00 1 0.00 0.00 ._ZN8NeighborC1EPK11SuperVectorIP8SPoint3DEf 0.00 18.28 0.00 1 0.00 0.00 ._ZN8NeighborC2EPK11SuperVectorIP8SPoint3DEf 0.00 18.28 0.00 1 0.00 0.00 ._ZN8NeighborD1Ev 0.00 18.28 0.00 1 0.00 0.00 ._ZN9PointList9NumPointsEv 0.00 18.28 0.00 1 0.00 0.00 ._ZN9PointListC1Ev 0.00 18.28 0.00 1 0.00 0.00 ._ZN9PointListD1Ev 0.00 18.28 0.00 1 0.00 0.00 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE5clearEv 0.00 18.28 0.00 1 0.00 0.00 ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE14find_or_insertERKS5_ 0.00 18.28 0.00 1 0.00 0.00 ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE5clearEv 0.00 18.28 0.00 1 0.00 0.00 ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE6resizeEm 0.00 18.28 0.00 1 0.00 0.00 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESaISB_EE14_M_fill_insertENS0_17__normal_iteratorIPSB_SD_EEmRKSB_ 0.00 18.28 0.00 1 0.00 0.00 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESaISB_EE7reserveEm 0.00 18.28 0.00 1 0.00 0.00 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEESaIS8_EE14_M_fill_insertENS0_17__normal_iteratorIPS8_SA_EEmRKS8_ 0.00 18.28 0.00 1 0.00 0.00 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEESaIS8_EE7reserveEm 0.00 18.28 0.00 1 0.00 0.00 ._ZSt4fillIN9__gnu_cxx17__normal_iteratorIPPNS0_15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESt6vectorISC_SaISC_EEEESC_EvT_SI_RKT0_ 0.00 18.28 0.00 1 0.00 0.00 ._ZSt4fillIN9__gnu_cxx17__normal_iteratorIPPNS0_15_Hashtable_nodeISt4pairIKSsP9PointListEEESt6vectorIS9_SaIS9_EEEES9_EvT_SF_RKT0_ 0.00 18.28 0.00 1 0.00 0.00 ._ZSt6fill_nIPPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEEmS8_ET_SA_T0_RKT1_ 0.00 18.28 0.00 1 0.00 0.00 ._ZlsRSoRK11SuperVectorIP8SPoint3DE % the percentage of the total running time of the time program used by this function. cumulative a running sum of the number of seconds accounted seconds for by this function and those listed above it. self the number of seconds accounted for by this seconds function alone. This is the major sort for this listing. calls the number of times this function was invoked, if this function is profiled, else blank. self the average number of milliseconds spent in this ms/call function per call, if this function is profiled, else blank. total the average number of milliseconds spent in this ms/call function and its descendents per call, if this function is profiled, else blank. name the name of the function. This is the minor sort for this listing. The index shows the location of the function in the gprof listing. If the index is in parenthesis it shows where it would appear in the gprof listing if it were to be printed. Call graph (explanation follows) granularity: each sample hit covers 2 byte(s) for 0.05% of 18.28 seconds index % time self children called name [1] 97.1 0.00 17.76 .main [1] 1.97 15.71 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] 0.00 0.08 1/1 ._ZN17PdbidPointListMapC1EPKc [25] 0.00 0.00 5/128 ._Z5debugiPcz [68] 0.00 0.00 2/3 ._Z8tostringRK7StrList [72] 0.00 0.00 2/2 ._ZNSt6vectorIPcSaIS0_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS0_S2_EERKS0_ [77] 0.00 0.00 1/1 ._ZN17PdbidPointListMap7GetKeysEPPPKcPi [90] 0.00 0.00 1/1 ._ZN17PdbidPointListMapD1Ev [91] ----------------------------------------------- 1.97 15.71 1/1 .main [1] [2] 96.7 1.97 15.71 1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] 4.09 9.28 9667081/9667081 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [3] 0.78 0.23 100464/100464 ._ZN8Neighbor12GetNeighborsERK8SPoint3D [9] 0.37 0.18 9670632/9674700 ._ZN10CAtomArray7GetAtomEi [12] 0.22 0.00 26522496/26522496 ._ZN16CPropertiesArray16GetPropertyValueEi [14] 0.18 0.00 602784/602784 ._ZN16CPropertiesArrayC1Ev [16] 0.15 0.00 9667081/9667081 ._ZNK8SPoint3D11GetDistanceERKS_ [17] 0.10 0.00 678424/678424 ._ZN16CPropertiesArray19UpdatePropertyArrayEP15SAtomProperties [22] 0.00 0.06 1/1 ._Z22GetNonExcludedResiduesP10CAtomArrayR7StrList [26] 0.05 0.00 9667081/9678768 ._ZN8SPoint3DC1Ev [28] 0.00 0.01 1/1 ._ZN8CProteinD1Ev [36] 0.00 0.00 1/1 ._ZN10CAtomArrayD1Ev [44] 0.00 0.00 1/1 ._ZN8NeighborC1EPK11SuperVectorIP8SPoint3DEf [45] 0.00 0.00 1/1 ._ZN8CProteinC1EPKc [49] 0.00 0.00 3/4072 ._ZN10CAtomArray8NumAtomsEv [27] 0.00 0.00 1/1 ._ZN17PdbidPointListMap12GetPointListEPKc [51] 0.00 0.00 602784/602784 ._ZN16CPropertiesArrayD1Ev [52] 0.00 0.00 100464/100464 ._ZN9PointList8GetPointEi [54] 0.00 0.00 100464/100464 ._ZN5Point5PrintEP8_IO_FILE [53] 0.00 0.00 13/13 ._ZNSt6vectorIP8SPoint3DSaIS1_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS1_S3_EERKS1_ [70] 0.00 0.00 2/128 ._Z5debugiPcz [68] 0.00 0.00 1/1 ._Z12IsFileExistsPKc [85] 0.00 0.00 1/1 ._Z11FindPdbFilePcPKcS1_ [80] 0.00 0.00 1/1 ._Z12FindDsspFilePcPKcS1_ [82] 0.00 0.00 1/1 ._ZN8CProtein12ReadDSSPFileEPKc [95] 0.00 0.00 1/1 ._ZN9PointList9NumPointsEv [99] 0.00 0.00 1/1 ._ZN8NeighborD1Ev [98] ----------------------------------------------- 4.09 9.28 9667081/9667081 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [3] 73.1 4.09 9.28 9667081 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [3] 2.96 0.30 38472552/38472552 ._ZN5SAtom9GetChargeEv [4] 0.89 0.95 9667081/9667081 ._ZN5SAtom17GetHydrophobicityEv [5] 1.15 0.00 9667081/9667081 ._ZN5SAtom12GetVDWRadiusEv [7] 1.09 0.00 9667081/9667081 ._ZN15SAtomProperties7SetTypeEP5SAtom [8] 0.82 0.00 9667081/9667081 ._ZN15SAtomProperties14SetResidueNameEP5SAtom [10] 0.80 0.00 9667081/9667081 ._ZN15SAtomProperties18SetFunctionalGroupEP5SAtom [11] 0.30 0.00 9667081/9667081 ._ZN8SPoint3DaSERKS_ [13] 0.01 0.00 330386/29112383 ._Z10IsStringInPKcS0_ [6] ----------------------------------------------- 2.96 0.30 38472552/38472552 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [3] [4] 17.9 2.96 0.30 38472552 ._ZN5SAtom9GetChargeEv [4] 0.30 0.00 7010352/29112383 ._Z10IsStringInPKcS0_ [6] ----------------------------------------------- 0.89 0.95 9667081/9667081 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [3] [5] 10.1 0.89 0.95 9667081 ._ZN5SAtom17GetHydrophobicityEv [5] 0.94 0.00 21771645/29112383 ._Z10IsStringInPKcS0_ [6] 0.01 0.00 1518641/1673558 ._Z9IsVerbosev [37] ----------------------------------------------- 0.01 0.00 330386/29112383 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [3] 0.30 0.00 7010352/29112383 ._ZN5SAtom9GetChargeEv [4] 0.94 0.00 21771645/29112383 ._ZN5SAtom17GetHydrophobicityEv [5] [6] 6.9 1.26 0.00 29112383 ._Z10IsStringInPKcS0_ [6] ----------------------------------------------- 1.15 0.00 9667081/9667081 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [3] [7] 6.3 1.15 0.00 9667081 ._ZN5SAtom12GetVDWRadiusEv [7] 0.00 0.00 154917/1673558 ._Z9IsVerbosev [37] ----------------------------------------------- 1.09 0.00 9667081/9667081 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [3] [8] 6.0 1.09 0.00 9667081 ._ZN15SAtomProperties7SetTypeEP5SAtom [8] ----------------------------------------------- 0.78 0.23 100464/100464 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [9] 5.5 0.78 0.23 100464 ._ZN8Neighbor12GetNeighborsERK8SPoint3D [9] 0.11 0.00 815435/815435 ._ZNSt6vectorIiSaIiEE15_M_range_insertIN9__gnu_cxx17__normal_iteratorIPiS1_EEEEvS6_T_S7_St20forward_iterator_tag [21] 0.11 0.00 815435/819237 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE22insert_unique_noresizeERKS8_ [20] 0.01 0.00 815435/819237 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE6resizeEm [38] ----------------------------------------------- 0.82 0.00 9667081/9667081 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [3] [10] 4.5 0.82 0.00 9667081 ._ZN15SAtomProperties14SetResidueNameEP5SAtom [10] ----------------------------------------------- 0.80 0.00 9667081/9667081 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [3] [11] 4.4 0.80 0.00 9667081 ._ZN15SAtomProperties18SetFunctionalGroupEP5SAtom [11] ----------------------------------------------- 0.00 0.00 4068/9674700 ._Z22GetNonExcludedResiduesP10CAtomArrayR7StrList [26] 0.37 0.18 9670632/9674700 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [12] 3.1 0.38 0.18 9674700 ._ZN10CAtomArray7GetAtomEi [12] 0.11 0.00 9674700/9689938 ._ZNK8CObArray5GetAtEi [19] 0.07 0.00 9674700/9686398 ._ZN8CObArray7GetSizeEv [23] ----------------------------------------------- 0.30 0.00 9667081/9667081 ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [3] [13] 1.6 0.30 0.00 9667081 ._ZN8SPoint3DaSERKS_ [13] ----------------------------------------------- 0.22 0.00 26522496/26522496 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [14] 1.2 0.22 0.00 26522496 ._ZN16CPropertiesArray16GetPropertyValueEi [14] ----------------------------------------------- [15] 1.1 0.20 0.00 ._ZN5SAtom16GetChainDistanceEv [15] ----------------------------------------------- 0.18 0.00 602784/602784 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [16] 1.0 0.18 0.00 602784 ._ZN16CPropertiesArrayC1Ev [16] ----------------------------------------------- 0.15 0.00 9667081/9667081 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [17] 0.8 0.15 0.00 9667081 ._ZNK8SPoint3D11GetDistanceERKS_ [17] ----------------------------------------------- [18] 0.7 0.12 0.00 ._ZNK8SPoint3D14GetDistanceSqrERKS_ [18] ----------------------------------------------- 0.00 0.00 3551/9689938 ._ZN10CAtomArrayD1Ev [44] 0.00 0.00 3551/9689938 ._ZN10CAtomArray18ExtractMarkedAtomsEi [47] 0.00 0.00 4068/9689938 ._ZN10CAtomArrayD2Ev [43] 0.00 0.00 4068/9689938 ._ZN8CProteinD1Ev [36] 0.11 0.00 9674700/9689938 ._ZN10CAtomArray7GetAtomEi [12] [19] 0.6 0.11 0.00 9689938 ._ZNK8CObArray5GetAtEi [19] ----------------------------------------------- 0.00 0.00 3802/819237 ._ZN8NeighborC1EPK11SuperVectorIP8SPoint3DEf [45] 0.11 0.00 815435/819237 ._ZN8Neighbor12GetNeighborsERK8SPoint3D [9] [20] 0.6 0.11 0.00 819237 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE22insert_unique_noresizeERKS8_ [20] ----------------------------------------------- 0.11 0.00 815435/815435 ._ZN8Neighbor12GetNeighborsERK8SPoint3D [9] [21] 0.6 0.11 0.00 815435 ._ZNSt6vectorIiSaIiEE15_M_range_insertIN9__gnu_cxx17__normal_iteratorIPiS1_EEEEvS6_T_S7_St20forward_iterator_tag [21] ----------------------------------------------- 0.10 0.00 678424/678424 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [22] 0.5 0.10 0.00 678424 ._ZN16CPropertiesArray19UpdatePropertyArrayEP15SAtomProperties [22] ----------------------------------------------- 0.00 0.00 1/9686398 ._ZN10CAtomArrayD2Ev [43] 0.00 0.00 1/9686398 ._ZN10CAtomArrayD1Ev [44] 0.00 0.00 1/9686398 ._ZN10CAtomArray18ExtractMarkedAtomsEi [47] 0.00 0.00 4/9686398 ._ZN8CProteinD1Ev [36] 0.00 0.00 4072/9686398 ._ZN10CAtomArray8NumAtomsEv [27] 0.00 0.00 7619/9686398 ._ZN10CAtomArray7AddAtomEP5SAtomb [46] 0.07 0.00 9674700/9686398 ._ZN10CAtomArray7GetAtomEi [12] [23] 0.4 0.08 0.00 9686398 ._ZN8CObArray7GetSizeEv [23] ----------------------------------------------- 0.02 0.06 1/1 ._ZN17PdbidPointListMapC1EPKc [25] [24] 0.4 0.02 0.06 1 ._ZN17PdbidPointListMap4readEPKc [24] 0.05 0.00 100464/100465 ._ZN17PdbidPointListMap6lookupESsb [31] 0.01 0.00 100464/100464 ._ZN8SPoint3DC1Eddd [39] 0.00 0.00 18/18 ._ZNSt6vectorIP5PointSaIS1_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS1_S3_EERKS1_ [69] ----------------------------------------------- 0.00 0.08 1/1 .main [1] [25] 0.4 0.00 0.08 1 ._ZN17PdbidPointListMapC1EPKc [25] 0.02 0.06 1/1 ._ZN17PdbidPointListMap4readEPKc [24] 0.00 0.00 1/3 ._ZSt11lower_boundIPKmmET_S2_S2_RKT0_ [73] 0.00 0.00 1/1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEESaIS8_EE7reserveEm [109] 0.00 0.00 1/1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEESaIS8_EE14_M_fill_insertENS0_17__normal_iteratorIPS8_SA_EEmRKS8_ [108] ----------------------------------------------- 0.00 0.06 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [26] 0.3 0.00 0.06 1 ._Z22GetNonExcludedResiduesP10CAtomArrayR7StrList [26] 0.05 0.00 4069/4072 ._ZN10CAtomArray8NumAtomsEv [27] 0.00 0.00 4068/9674700 ._ZN10CAtomArray7GetAtomEi [12] 0.00 0.00 1/1 ._ZN10CAtomArray18ExtractMarkedAtomsEi [47] 0.00 0.00 517/517 ._ZN10CAtomArray11DecAtomMarkEi [66] 0.00 0.00 1/128 ._Z5debugiPcz [68] ----------------------------------------------- 0.00 0.00 3/4072 ._ZN9Featurize23RunPointEnvironmentModeEv [2] 0.05 0.00 4069/4072 ._Z22GetNonExcludedResiduesP10CAtomArrayR7StrList [26] [27] 0.3 0.06 0.00 4072 ._ZN10CAtomArray8NumAtomsEv [27] 0.00 0.00 4072/9686398 ._ZN8CObArray7GetSizeEv [23] ----------------------------------------------- 0.00 0.00 4068/9678768 ._ZN5SAtom12ParsePDBAtomEPKc [50] 0.00 0.00 7619/9678768 ._ZN10CAtomArray7AddAtomEP5SAtomb [46] 0.05 0.00 9667081/9678768 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [28] 0.3 0.05 0.00 9678768 ._ZN8SPoint3DC1Ev [28] ----------------------------------------------- [29] 0.3 0.05 0.00 ._Z8ParseIntPiPKcii [29] ----------------------------------------------- [30] 0.3 0.05 0.00 ._ZN15SAtomProperties16SetChargeWithHisEP5SAtom [30] ----------------------------------------------- 0.00 0.00 1/100465 ._ZN17PdbidPointListMap12GetPointListEPKc [51] 0.05 0.00 100464/100465 ._ZN17PdbidPointListMap4readEPKc [24] [31] 0.2 0.05 0.00 100465 ._ZN17PdbidPointListMap6lookupESsb [31] 0.00 0.00 1/1 ._ZN9PointListC1Ev [100] 0.00 0.00 1/1 ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE14find_or_insertERKS5_ [103] ----------------------------------------------- [32] 0.2 0.03 0.00 ._ZN16CPropertiesArray7GetPropEPii [32] ----------------------------------------------- [33] 0.2 0.03 0.00 ._ZNK5SAtom12GetAtomLabelEPc [33] ----------------------------------------------- [34] 0.1 0.02 0.00 ._ZN15SAtomProperties10SetPeptideEP5SAtom [34] ----------------------------------------------- 0.00 0.00 1/6 ._ZN10CAtomArrayD2Ev [43] 0.00 0.00 1/6 ._ZN10CAtomArrayD1Ev [44] 0.01 0.00 4/6 ._ZN8CProteinD1Ev [36] [35] 0.1 0.02 0.00 6 ._ZN8CObArrayD1Ev [35] ----------------------------------------------- 0.00 0.01 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [36] 0.1 0.00 0.01 1 ._ZN8CProteinD1Ev [36] 0.01 0.00 4/6 ._ZN8CObArrayD1Ev [35] 0.00 0.00 1/1 ._ZN10CAtomArrayD2Ev [43] 0.00 0.00 4068/9689938 ._ZNK8CObArray5GetAtEi [19] 0.00 0.00 4/9686398 ._ZN8CObArray7GetSizeEv [23] 0.00 0.00 4068/11689 ._ZN14CProteinObjectD2Ev [59] ----------------------------------------------- 0.00 0.00 154917/1673558 ._ZN5SAtom12GetVDWRadiusEv [7] 0.01 0.00 1518641/1673558 ._ZN5SAtom17GetHydrophobicityEv [5] [37] 0.1 0.01 0.00 1673558 ._Z9IsVerbosev [37] ----------------------------------------------- 0.00 0.00 3802/819237 ._ZN8NeighborC1EPK11SuperVectorIP8SPoint3DEf [45] 0.01 0.00 815435/819237 ._ZN8Neighbor12GetNeighborsERK8SPoint3D [9] [38] 0.1 0.01 0.00 819237 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE6resizeEm [38] 0.00 0.00 1/3 ._ZSt11lower_boundIPKmmET_S2_S2_RKT0_ [73] 0.00 0.00 1/2 ._ZSt6fill_nIPPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEEmSB_ET_SD_T0_RKT1_ [78] ----------------------------------------------- 0.01 0.00 100464/100464 ._ZN17PdbidPointListMap4readEPKc [24] [39] 0.1 0.01 0.00 100464 ._ZN8SPoint3DC1Eddd [39] ----------------------------------------------- [40] 0.1 0.01 0.00 ._ZN15SAtomProperties22SetSecondaryStructure2EP5SAtom [40] ----------------------------------------------- [41] 0.1 0.01 0.00 ._ZN8SPoint3DC2Ev [41] ----------------------------------------------- [42] 0.0 0.01 0.00 ._ZN17PdbidPointListMapD2Ev [42] ----------------------------------------------- 0.00 0.00 1/1 ._ZN8CProteinD1Ev [36] [43] 0.0 0.00 0.00 1 ._ZN10CAtomArrayD2Ev [43] 0.00 0.00 1/6 ._ZN8CObArrayD1Ev [35] 0.00 0.00 4068/9689938 ._ZNK8CObArray5GetAtEi [19] 0.00 0.00 1/9686398 ._ZN8CObArray7GetSizeEv [23] 0.00 0.00 4069/11689 ._ZN14CProteinObjectD2Ev [59] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [44] 0.0 0.00 0.00 1 ._ZN10CAtomArrayD1Ev [44] 0.00 0.00 1/6 ._ZN8CObArrayD1Ev [35] 0.00 0.00 3551/9689938 ._ZNK8CObArray5GetAtEi [19] 0.00 0.00 1/9686398 ._ZN8CObArray7GetSizeEv [23] 0.00 0.00 3552/11689 ._ZN14CProteinObjectD2Ev [59] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [45] 0.0 0.00 0.00 1 ._ZN8NeighborC1EPK11SuperVectorIP8SPoint3DEf [45] 0.00 0.00 3802/819237 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE22insert_unique_noresizeERKS8_ [20] 0.00 0.00 3802/819237 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE6resizeEm [38] 0.00 0.00 1136/1136 ._ZNSt6vectorIiSaIiEE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPiS1_EERKi [65] 0.00 0.00 1/3 ._ZSt11lower_boundIPKmmET_S2_S2_RKT0_ [73] 0.00 0.00 1/1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESaISB_EE7reserveEm [107] 0.00 0.00 1/1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESaISB_EE14_M_fill_insertENS0_17__normal_iteratorIPSB_SD_EEmRKSB_ [106] ----------------------------------------------- 0.00 0.00 3551/7619 ._ZN10CAtomArray18ExtractMarkedAtomsEi [47] 0.00 0.00 4068/7619 ._ZN8CProtein12ParsePDBLineEPKc [48] [46] 0.0 0.00 0.00 7619 ._ZN10CAtomArray7AddAtomEP5SAtomb [46] 0.00 0.00 7619/9686398 ._ZN8CObArray7GetSizeEv [23] 0.00 0.00 7619/9678768 ._ZN8SPoint3DC1Ev [28] 0.00 0.00 7619/11689 ._ZN14CProteinObjectC2Ev [58] 0.00 0.00 7619/7619 ._ZN5SAtomaSERS_ [63] 0.00 0.00 7619/11687 ._ZN8CObArray3AddEP7CObject [60] ----------------------------------------------- 0.00 0.00 1/1 ._Z22GetNonExcludedResiduesP10CAtomArrayR7StrList [26] [47] 0.0 0.00 0.00 1 ._ZN10CAtomArray18ExtractMarkedAtomsEi [47] 0.00 0.00 3551/7619 ._ZN10CAtomArray7AddAtomEP5SAtomb [46] 0.00 0.00 3551/9689938 ._ZNK8CObArray5GetAtEi [19] 0.00 0.00 1/9686398 ._ZN8CObArray7GetSizeEv [23] 0.00 0.00 1/11689 ._ZN14CProteinObjectC2Ev [58] 0.00 0.00 1/6 ._ZN8CObArrayC1Ev [71] ----------------------------------------------- 0.00 0.00 4678/4678 ._ZN8CProteinC1EPKc [49] [48] 0.0 0.00 0.00 4678 ._ZN8CProtein12ParsePDBLineEPKc [48] 0.00 0.00 4068/7619 ._ZN10CAtomArray7AddAtomEP5SAtomb [46] 0.00 0.00 4632/4632 ._ZN5SAtom12ParsePDBAtomEPKc [50] 0.00 0.00 4679/16883 ._Z11ParseStringPcPKcii [56] 0.00 0.00 4068/11687 ._ZN8CObArray3AddEP7CObject [60] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [49] 0.0 0.00 0.00 1 ._ZN8CProteinC1EPKc [49] 0.00 0.00 4678/4678 ._ZN8CProtein12ParsePDBLineEPKc [48] 0.00 0.00 4679/4679 ._ZN11CLISPParser7GetLineEPc [64] 0.00 0.00 5/6 ._ZN8CObArrayC1Ev [71] 0.00 0.00 1/11689 ._ZN14CProteinObjectC2Ev [58] 0.00 0.00 1/1 ._ZN11CLISPParserC1EPKc [87] 0.00 0.00 1/1 ._ZN7CParserD2Ev [94] ----------------------------------------------- 0.00 0.00 4632/4632 ._ZN8CProtein12ParsePDBLineEPKc [48] [50] 0.0 0.00 0.00 4632 ._ZN5SAtom12ParsePDBAtomEPKc [50] 0.00 0.00 4068/9678768 ._ZN8SPoint3DC1Ev [28] 0.00 0.00 20340/20340 ._Z11ParseDoublePdPKcii [55] 0.00 0.00 12204/16883 ._Z11ParseStringPcPKcii [56] 0.00 0.00 12204/12204 ._Z9ParseCharPcPKci [57] 0.00 0.00 8136/8136 ._Z9ParseLongPlPKcii [62] 0.00 0.00 4068/11689 ._ZN14CProteinObjectC2Ev [58] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [51] 0.0 0.00 0.00 1 ._ZN17PdbidPointListMap12GetPointListEPKc [51] 0.00 0.00 1/100465 ._ZN17PdbidPointListMap6lookupESsb [31] ----------------------------------------------- 0.00 0.00 602784/602784 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [52] 0.0 0.00 0.00 602784 ._ZN16CPropertiesArrayD1Ev [52] ----------------------------------------------- 0.00 0.00 100464/100464 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [53] 0.0 0.00 0.00 100464 ._ZN5Point5PrintEP8_IO_FILE [53] ----------------------------------------------- 0.00 0.00 100464/100464 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [54] 0.0 0.00 0.00 100464 ._ZN9PointList8GetPointEi [54] ----------------------------------------------- 0.00 0.00 20340/20340 ._ZN5SAtom12ParsePDBAtomEPKc [50] [55] 0.0 0.00 0.00 20340 ._Z11ParseDoublePdPKcii [55] ----------------------------------------------- 0.00 0.00 4679/16883 ._ZN8CProtein12ParsePDBLineEPKc [48] 0.00 0.00 12204/16883 ._ZN5SAtom12ParsePDBAtomEPKc [50] [56] 0.0 0.00 0.00 16883 ._Z11ParseStringPcPKcii [56] ----------------------------------------------- 0.00 0.00 12204/12204 ._ZN5SAtom12ParsePDBAtomEPKc [50] [57] 0.0 0.00 0.00 12204 ._Z9ParseCharPcPKci [57] ----------------------------------------------- 0.00 0.00 1/11689 ._ZN10CAtomArray18ExtractMarkedAtomsEi [47] 0.00 0.00 1/11689 ._ZN8CProteinC1EPKc [49] 0.00 0.00 4068/11689 ._ZN5SAtom12ParsePDBAtomEPKc [50] 0.00 0.00 7619/11689 ._ZN10CAtomArray7AddAtomEP5SAtomb [46] [58] 0.0 0.00 0.00 11689 ._ZN14CProteinObjectC2Ev [58] ----------------------------------------------- 0.00 0.00 3552/11689 ._ZN10CAtomArrayD1Ev [44] 0.00 0.00 4068/11689 ._ZN8CProteinD1Ev [36] 0.00 0.00 4069/11689 ._ZN10CAtomArrayD2Ev [43] [59] 0.0 0.00 0.00 11689 ._ZN14CProteinObjectD2Ev [59] ----------------------------------------------- 0.00 0.00 4068/11687 ._ZN8CProtein12ParsePDBLineEPKc [48] 0.00 0.00 7619/11687 ._ZN10CAtomArray7AddAtomEP5SAtomb [46] [60] 0.0 0.00 0.00 11687 ._ZN8CObArray3AddEP7CObject [60] 0.00 0.00 11687/11687 ._ZN8CObArray7SetSizeEii [61] ----------------------------------------------- 0.00 0.00 11687/11687 ._ZN8CObArray3AddEP7CObject [60] [61] 0.0 0.00 0.00 11687 ._ZN8CObArray7SetSizeEii [61] ----------------------------------------------- 0.00 0.00 8136/8136 ._ZN5SAtom12ParsePDBAtomEPKc [50] [62] 0.0 0.00 0.00 8136 ._Z9ParseLongPlPKcii [62] ----------------------------------------------- 0.00 0.00 7619/7619 ._ZN10CAtomArray7AddAtomEP5SAtomb [46] [63] 0.0 0.00 0.00 7619 ._ZN5SAtomaSERS_ [63] ----------------------------------------------- 0.00 0.00 4679/4679 ._ZN8CProteinC1EPKc [49] [64] 0.0 0.00 0.00 4679 ._ZN11CLISPParser7GetLineEPc [64] ----------------------------------------------- 0.00 0.00 1136/1136 ._ZN8NeighborC1EPK11SuperVectorIP8SPoint3DEf [45] [65] 0.0 0.00 0.00 1136 ._ZNSt6vectorIiSaIiEE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPiS1_EERKi [65] ----------------------------------------------- 0.00 0.00 517/517 ._Z22GetNonExcludedResiduesP10CAtomArrayR7StrList [26] [66] 0.0 0.00 0.00 517 ._ZN10CAtomArray11DecAtomMarkEi [66] ----------------------------------------------- 0.00 0.00 251/251 ._ZN8NeighborD1Ev [98] [67] 0.0 0.00 0.00 251 ._ZN9__gnu_cxx19_Hashtable_iteratorISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EEppEv [67] ----------------------------------------------- 0.00 0.00 1/128 ._Z22GetNonExcludedResiduesP10CAtomArrayR7StrList [26] 0.00 0.00 2/128 ._ZN9Featurize23RunPointEnvironmentModeEv [2] 0.00 0.00 5/128 .main [1] 0.00 0.00 120/128 ._Z8FindFilePcPPKcS2_S2_S2_ [75] [68] 0.0 0.00 0.00 128 ._Z5debugiPcz [68] ----------------------------------------------- 0.00 0.00 18/18 ._ZN17PdbidPointListMap4readEPKc [24] [69] 0.0 0.00 0.00 18 ._ZNSt6vectorIP5PointSaIS1_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS1_S3_EERKS1_ [69] ----------------------------------------------- 0.00 0.00 13/13 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [70] 0.0 0.00 0.00 13 ._ZNSt6vectorIP8SPoint3DSaIS1_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS1_S3_EERKS1_ [70] ----------------------------------------------- 0.00 0.00 1/6 ._ZN10CAtomArray18ExtractMarkedAtomsEi [47] 0.00 0.00 5/6 ._ZN8CProteinC1EPKc [49] [71] 0.0 0.00 0.00 6 ._ZN8CObArrayC1Ev [71] ----------------------------------------------- 0.00 0.00 1/3 .atexit [646] 0.00 0.00 2/3 .main [1] [72] 0.0 0.00 0.00 3 ._Z8tostringRK7StrList [72] 0.00 0.00 2/2 ._ZlsRSoRK7StrList [79] ----------------------------------------------- 0.00 0.00 1/3 ._ZN8NeighborC1EPK11SuperVectorIP8SPoint3DEf [45] 0.00 0.00 1/3 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE6resizeEm [38] 0.00 0.00 1/3 ._ZN17PdbidPointListMapC1EPKc [25] [73] 0.0 0.00 0.00 3 ._ZSt11lower_boundIPKmmET_S2_S2_RKT0_ [73] ----------------------------------------------- 0.00 0.00 1/2 ._Z12FindDsspFilePcPKcS1_ [82] 0.00 0.00 1/2 ._Z11FindPdbFilePcPKcS1_ [80] [74] 0.0 0.00 0.00 2 ._Z15FindProteinFilePcPKcS1_PS1_ [74] 0.00 0.00 2/2 ._Z8FindFilePcPPKcS2_S2_S2_ [75] ----------------------------------------------- 0.00 0.00 2/2 ._Z15FindProteinFilePcPKcS1_PS1_ [74] [75] 0.0 0.00 0.00 2 ._Z8FindFilePcPPKcS2_S2_S2_ [75] 0.00 0.00 120/128 ._Z5debugiPcz [68] ----------------------------------------------- 0.00 0.00 1/2 ._ZN17PdbidPointListMap7GetKeysEPPPKcPi [90] 0.00 0.00 1/2 ._ZN17PdbidPointListMapD1Ev [91] [76] 0.0 0.00 0.00 2 ._ZN9__gnu_cxx19_Hashtable_iteratorISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EEppEv [76] ----------------------------------------------- 0.00 0.00 2/2 .main [1] [77] 0.0 0.00 0.00 2 ._ZNSt6vectorIPcSaIS0_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS0_S2_EERKS0_ [77] ----------------------------------------------- 0.00 0.00 1/2 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE6resizeEm [38] 0.00 0.00 1/2 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESaISB_EE14_M_fill_insertENS0_17__normal_iteratorIPSB_SD_EEmRKSB_ [106] [78] 0.0 0.00 0.00 2 ._ZSt6fill_nIPPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEEmSB_ET_SD_T0_RKT1_ [78] ----------------------------------------------- 0.00 0.00 2/2 ._Z8tostringRK7StrList [72] [79] 0.0 0.00 0.00 2 ._ZlsRSoRK7StrList [79] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [80] 0.0 0.00 0.00 1 ._Z11FindPdbFilePcPKcS1_ [80] 0.00 0.00 1/2 ._Z15FindProteinFilePcPKcS1_PS1_ [74] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [81] 0.0 0.00 0.00 1 ._Z11fatal_errorPcz [81] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [82] 0.0 0.00 0.00 1 ._Z12FindDsspFilePcPKcS1_ [82] 0.00 0.00 1/2 ._Z15FindProteinFilePcPKcS1_PS1_ [74] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [83] 0.0 0.00 0.00 1 ._Z12GetCoordListP8CProtein [83] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [84] 0.0 0.00 0.00 1 ._Z12GetNeighborsP10CAtomArrayP5SAtomd [84] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [85] 0.0 0.00 0.00 1 ._Z12IsFileExistsPKc [85] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [86] 0.0 0.00 0.00 1 ._Z12assign_typesP8CProteinP23ForceFieldParametersSetPc [86] ----------------------------------------------- 0.00 0.00 1/1 ._ZN8CProteinC1EPKc [49] [87] 0.0 0.00 0.00 1 ._ZN11CLISPParserC1EPKc [87] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [88] 0.0 0.00 0.00 1 ._ZN15EnvironmentListC2EPKci [88] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [89] 0.0 0.00 0.00 1 ._ZN16CPropertiesArray10GetWeightsEP10CScoreFilei [89] ----------------------------------------------- 0.00 0.00 1/1 .main [1] [90] 0.0 0.00 0.00 1 ._ZN17PdbidPointListMap7GetKeysEPPPKcPi [90] 0.00 0.00 1/2 ._ZN9__gnu_cxx19_Hashtable_iteratorISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EEppEv [76] ----------------------------------------------- 0.00 0.00 1/1 .main [1] [91] 0.0 0.00 0.00 1 ._ZN17PdbidPointListMapD1Ev [91] 0.00 0.00 1/2 ._ZN9__gnu_cxx19_Hashtable_iteratorISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EEppEv [76] 0.00 0.00 1/1 ._ZN9PointListD1Ev [101] 0.00 0.00 1/1 ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE5clearEv [104] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [92] 0.0 0.00 0.00 1 ._ZN18ResidueTemplateSetC2EPKc [92] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [93] 0.0 0.00 0.00 1 ._ZN23ForceFieldParametersSetC2EPKc [93] ----------------------------------------------- 0.00 0.00 1/1 ._ZN8CProteinC1EPKc [49] [94] 0.0 0.00 0.00 1 ._ZN7CParserD2Ev [94] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [95] 0.0 0.00 0.00 1 ._ZN8CProtein12ReadDSSPFileEPKc [95] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [96] 0.0 0.00 0.00 1 ._ZN8CProtein7GetNameEv [96] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [97] 0.0 0.00 0.00 1 ._ZN8NeighborC2EPK11SuperVectorIP8SPoint3DEf [97] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [98] 0.0 0.00 0.00 1 ._ZN8NeighborD1Ev [98] 0.00 0.00 251/251 ._ZN9__gnu_cxx19_Hashtable_iteratorISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EEppEv [67] 0.00 0.00 1/1 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE5clearEv [102] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9Featurize23RunPointEnvironmentModeEv [2] [99] 0.0 0.00 0.00 1 ._ZN9PointList9NumPointsEv [99] ----------------------------------------------- 0.00 0.00 1/1 ._ZN17PdbidPointListMap6lookupESsb [31] [100] 0.0 0.00 0.00 1 ._ZN9PointListC1Ev [100] ----------------------------------------------- 0.00 0.00 1/1 ._ZN17PdbidPointListMapD1Ev [91] [101] 0.0 0.00 0.00 1 ._ZN9PointListD1Ev [101] ----------------------------------------------- 0.00 0.00 1/1 ._ZN8NeighborD1Ev [98] [102] 0.0 0.00 0.00 1 ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE5clearEv [102] ----------------------------------------------- 0.00 0.00 1/1 ._ZN17PdbidPointListMap6lookupESsb [31] [103] 0.0 0.00 0.00 1 ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE14find_or_insertERKS5_ [103] 0.00 0.00 1/1 ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE6resizeEm [105] ----------------------------------------------- 0.00 0.00 1/1 ._ZN17PdbidPointListMapD1Ev [91] [104] 0.0 0.00 0.00 1 ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE5clearEv [104] ----------------------------------------------- 0.00 0.00 1/1 ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE14find_or_insertERKS5_ [103] [105] 0.0 0.00 0.00 1 ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE6resizeEm [105] ----------------------------------------------- 0.00 0.00 1/1 ._ZN8NeighborC1EPK11SuperVectorIP8SPoint3DEf [45] [106] 0.0 0.00 0.00 1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESaISB_EE14_M_fill_insertENS0_17__normal_iteratorIPSB_SD_EEmRKSB_ [106] 0.00 0.00 1/2 ._ZSt6fill_nIPPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEEmSB_ET_SD_T0_RKT1_ [78] 0.00 0.00 1/1 ._ZSt4fillIN9__gnu_cxx17__normal_iteratorIPPNS0_15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESt6vectorISC_SaISC_EEEESC_EvT_SI_RKT0_ [110] ----------------------------------------------- 0.00 0.00 1/1 ._ZN8NeighborC1EPK11SuperVectorIP8SPoint3DEf [45] [107] 0.0 0.00 0.00 1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESaISB_EE7reserveEm [107] ----------------------------------------------- 0.00 0.00 1/1 ._ZN17PdbidPointListMapC1EPKc [25] [108] 0.0 0.00 0.00 1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEESaIS8_EE14_M_fill_insertENS0_17__normal_iteratorIPS8_SA_EEmRKS8_ [108] 0.00 0.00 1/1 ._ZSt6fill_nIPPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEEmS8_ET_SA_T0_RKT1_ [112] 0.00 0.00 1/1 ._ZSt4fillIN9__gnu_cxx17__normal_iteratorIPPNS0_15_Hashtable_nodeISt4pairIKSsP9PointListEEESt6vectorIS9_SaIS9_EEEES9_EvT_SF_RKT0_ [111] ----------------------------------------------- 0.00 0.00 1/1 ._ZN17PdbidPointListMapC1EPKc [25] [109] 0.0 0.00 0.00 1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEESaIS8_EE7reserveEm [109] ----------------------------------------------- 0.00 0.00 1/1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESaISB_EE14_M_fill_insertENS0_17__normal_iteratorIPSB_SD_EEmRKSB_ [106] [110] 0.0 0.00 0.00 1 ._ZSt4fillIN9__gnu_cxx17__normal_iteratorIPPNS0_15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESt6vectorISC_SaISC_EEEESC_EvT_SI_RKT0_ [110] ----------------------------------------------- 0.00 0.00 1/1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEESaIS8_EE14_M_fill_insertENS0_17__normal_iteratorIPS8_SA_EEmRKS8_ [108] [111] 0.0 0.00 0.00 1 ._ZSt4fillIN9__gnu_cxx17__normal_iteratorIPPNS0_15_Hashtable_nodeISt4pairIKSsP9PointListEEESt6vectorIS9_SaIS9_EEEES9_EvT_SF_RKT0_ [111] ----------------------------------------------- 0.00 0.00 1/1 ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEESaIS8_EE14_M_fill_insertENS0_17__normal_iteratorIPS8_SA_EEmRKS8_ [108] [112] 0.0 0.00 0.00 1 ._ZSt6fill_nIPPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEEmS8_ET_SA_T0_RKT1_ [112] ----------------------------------------------- 0.00 0.00 1/1 .atexit [646] [113] 0.0 0.00 0.00 1 ._ZlsRSoRK11SuperVectorIP8SPoint3DE [113] ----------------------------------------------- This table describes the call tree of the program, and was sorted by the total amount of time spent in each function and its children. Each entry in this table consists of several lines. The line with the index number at the left hand margin lists the current function. The lines above it list the functions that called this function, and the lines below it list the functions this one called. This line lists: index A unique number given to each element of the table. Index numbers are sorted numerically. The index number is printed next to every function name so it is easier to look up where the function in the table. % time This is the percentage of the `total' time that was spent in this function and its children. Note that due to different viewpoints, functions excluded by options, etc, these numbers will NOT add up to 100%. self This is the total amount of time spent in this function. children This is the total amount of time propagated into this function by its children. called This is the number of times the function was called. If the function called itself recursively, the number only includes non-recursive calls, and is followed by a `+' and the number of recursive calls. name The name of the current function. The index number is printed after it. If the function is a member of a cycle, the cycle number is printed between the function's name and the index number. For the function's parents, the fields have the following meanings: self This is the amount of time that was propagated directly from the function into this parent. children This is the amount of time that was propagated from the function's children into this parent. called This is the number of times this parent called the function `/' the total number of times the function was called. Recursive calls to the function are not included in the number after the `/'. name This is the name of the parent. The parent's index number is printed after it. If the parent is a member of a cycle, the cycle number is printed between the name and the index number. If the parents of the function cannot be determined, the word `' is printed in the `name' field, and all the other fields are blank. For the function's children, the fields have the following meanings: self This is the amount of time that was propagated directly from the child into the function. children This is the amount of time that was propagated from the child's children to the function. called This is the number of times the function called this child `/' the total number of times the child was called. Recursive calls by the child are not listed in the number after the `/'. name This is the name of the child. The child's index number is printed after it. If the child is a member of a cycle, the cycle number is printed between the name and the index number. If there are any cycles (circles) in the call graph, there is an entry for the cycle-as-a-whole. This entry shows who called the cycle (as parents) and the members of the cycle (as children.) The `+' recursive calls entry shows the number of function calls that were internal to the cycle, and the calls entry for each member shows, for that member, how many times it was called from other members of the cycle. Index by function name [6] ._Z10IsStringInPKcS0_ [89] ._ZN16CPropertiesArray10GetWeightsEP10CScoreFilei [28] ._ZN8SPoint3DC1Ev [80] ._Z11FindPdbFilePcPKcS1_ [14] ._ZN16CPropertiesArray16GetPropertyValueEi [41] ._ZN8SPoint3DC2Ev [55] ._Z11ParseDoublePdPKcii [22] ._ZN16CPropertiesArray19UpdatePropertyArrayEP15SAtomProperties [13] ._ZN8SPoint3DaSERKS_ [56] ._Z11ParseStringPcPKcii [32] ._ZN16CPropertiesArray7GetPropEPii [2] ._ZN9Featurize23RunPointEnvironmentModeEv [81] ._Z11fatal_errorPcz [16] ._ZN16CPropertiesArrayC1Ev [54] ._ZN9PointList8GetPointEi [82] ._Z12FindDsspFilePcPKcS1_ [52] ._ZN16CPropertiesArrayD1Ev [99] ._ZN9PointList9NumPointsEv [83] ._Z12GetCoordListP8CProtein [51] ._ZN17PdbidPointListMap12GetPointListEPKc [100] ._ZN9PointListC1Ev [84] ._Z12GetNeighborsP10CAtomArrayP5SAtomd [24] ._ZN17PdbidPointListMap4readEPKc [101] ._ZN9PointListD1Ev [85] ._Z12IsFileExistsPKc [31] ._ZN17PdbidPointListMap6lookupESsb [67] ._ZN9__gnu_cxx19_Hashtable_iteratorISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EEppEv [86] ._Z12assign_typesP8CProteinP23ForceFieldParametersSetPc [90] ._ZN17PdbidPointListMap7GetKeysEPPPKcPi [76] ._ZN9__gnu_cxx19_Hashtable_iteratorISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EEppEv [74] ._Z15FindProteinFilePcPKcS1_PS1_ [25] ._ZN17PdbidPointListMapC1EPKc [20] ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE22insert_unique_noresizeERKS8_ [26] ._Z22GetNonExcludedResiduesP10CAtomArrayR7StrList [91] ._ZN17PdbidPointListMapD1Ev [102] ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE5clearEv [68] ._Z5debugiPcz [42] ._ZN17PdbidPointListMapD2Ev [38] ._ZN9__gnu_cxx9hashtableISt4pairIKN8Neighbor4CellEP11SuperVectorIiEES3_NS3_4HashESt10_Select1stIS8_ENS3_5EqualESaIS7_EE6resizeEm [75] ._Z8FindFilePcPPKcS2_S2_S2_ [92] ._ZN18ResidueTemplateSetC2EPKc [103] ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE14find_or_insertERKS5_ [29] ._Z8ParseIntPiPKcii [93] ._ZN23ForceFieldParametersSetC2EPKc [104] ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE5clearEv [72] ._Z8tostringRK7StrList [53] ._ZN5Point5PrintEP8_IO_FILE [105] ._ZN9__gnu_cxx9hashtableISt4pairIKSsP9PointListESsNS_4hashISsEESt10_Select1stIS5_ESt8equal_toISsESaIS4_EE6resizeEm [37] ._Z9IsVerbosev [7] ._ZN5SAtom12GetVDWRadiusEv [33] ._ZNK5SAtom12GetAtomLabelEPc [57] ._Z9ParseCharPcPKci [50] ._ZN5SAtom12ParsePDBAtomEPKc [19] ._ZNK8CObArray5GetAtEi [62] ._Z9ParseLongPlPKcii [15] ._ZN5SAtom16GetChainDistanceEv [17] ._ZNK8SPoint3D11GetDistanceERKS_ [66] ._ZN10CAtomArray11DecAtomMarkEi [5] ._ZN5SAtom17GetHydrophobicityEv [18] ._ZNK8SPoint3D14GetDistanceSqrERKS_ [47] ._ZN10CAtomArray18ExtractMarkedAtomsEi [4] ._ZN5SAtom9GetChargeEv [69] ._ZNSt6vectorIP5PointSaIS1_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS1_S3_EERKS1_ [46] ._ZN10CAtomArray7AddAtomEP5SAtomb [63] ._ZN5SAtomaSERS_ [70] ._ZNSt6vectorIP8SPoint3DSaIS1_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS1_S3_EERKS1_ [12] ._ZN10CAtomArray7GetAtomEi [94] ._ZN7CParserD2Ev [106] ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESaISB_EE14_M_fill_insertENS0_17__normal_iteratorIPSB_SD_EEmRKSB_ [27] ._ZN10CAtomArray8NumAtomsEv [60] ._ZN8CObArray3AddEP7CObject [107] ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESaISB_EE7reserveEm [44] ._ZN10CAtomArrayD1Ev [23] ._ZN8CObArray7GetSizeEv [108] ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEESaIS8_EE14_M_fill_insertENS0_17__normal_iteratorIPS8_SA_EEmRKS8_ [43] ._ZN10CAtomArrayD2Ev [61] ._ZN8CObArray7SetSizeEii [109] ._ZNSt6vectorIPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEESaIS8_EE7reserveEm [64] ._ZN11CLISPParser7GetLineEPc [71] ._ZN8CObArrayC1Ev [77] ._ZNSt6vectorIPcSaIS0_EE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPS0_S2_EERKS0_ [87] ._ZN11CLISPParserC1EPKc [35] ._ZN8CObArrayD1Ev [65] ._ZNSt6vectorIiSaIiEE13_M_insert_auxEN9__gnu_cxx17__normal_iteratorIPiS1_EERKi [58] ._ZN14CProteinObjectC2Ev [48] ._ZN8CProtein12ParsePDBLineEPKc [21] ._ZNSt6vectorIiSaIiEE15_M_range_insertIN9__gnu_cxx17__normal_iteratorIPiS1_EEEEvS6_T_S7_St20forward_iterator_tag [59] ._ZN14CProteinObjectD2Ev [95] ._ZN8CProtein12ReadDSSPFileEPKc [73] ._ZSt11lower_boundIPKmmET_S2_S2_RKT0_ [88] ._ZN15EnvironmentListC2EPKci [96] ._ZN8CProtein7GetNameEv [110] ._ZSt4fillIN9__gnu_cxx17__normal_iteratorIPPNS0_15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEESt6vectorISC_SaISC_EEEESC_EvT_SI_RKT0_ [34] ._ZN15SAtomProperties10SetPeptideEP5SAtom [49] ._ZN8CProteinC1EPKc [111] ._ZSt4fillIN9__gnu_cxx17__normal_iteratorIPPNS0_15_Hashtable_nodeISt4pairIKSsP9PointListEEESt6vectorIS9_SaIS9_EEEES9_EvT_SF_RKT0_ [10] ._ZN15SAtomProperties14SetResidueNameEP5SAtom [36] ._ZN8CProteinD1Ev [78] ._ZSt6fill_nIPPN9__gnu_cxx15_Hashtable_nodeISt4pairIKN8Neighbor4CellEP11SuperVectorIiEEEEmSB_ET_SD_T0_RKT1_ [30] ._ZN15SAtomProperties16SetChargeWithHisEP5SAtom [9] ._ZN8Neighbor12GetNeighborsERK8SPoint3D [112] ._ZSt6fill_nIPPN9__gnu_cxx15_Hashtable_nodeISt4pairIKSsP9PointListEEEmS8_ET_SA_T0_RKT1_ [11] ._ZN15SAtomProperties18SetFunctionalGroupEP5SAtom [45] ._ZN8NeighborC1EPK11SuperVectorIP8SPoint3DEf [113] ._ZlsRSoRK11SuperVectorIP8SPoint3DE [40] ._ZN15SAtomProperties22SetSecondaryStructure2EP5SAtom [97] ._ZN8NeighborC2EPK11SuperVectorIP8SPoint3DEf [79] ._ZlsRSoRK7StrList [3] ._ZN15SAtomProperties23CalculateAtomPropertiesEP5SAtom [98] ._ZN8NeighborD1Ev [8] ._ZN15SAtomProperties7SetTypeEP5SAtom [39] ._ZN8SPoint3DC1Eddd