| /dports/science/openbabel/openbabel-3.1.1/src/formats/libinchi/ |
| H A D | ichilnct.c | 64 int bDoNotAddH, int vABParityUnknown, INPUT_TYPE nInputType,
101 int vABParityUnknown = AB_PARITY_UNDF; in Get_inchi_Input_FromAuxInfo() local
105 vABParityUnknown = AB_PARITY_UNKN; in Get_inchi_Input_FromAuxInfo()
136 num_at = INChIToInchi_Input( &inp, pInchiInp->pInp, 1, bDoNotAddH, vABParityUnknown, in Get_inchi_Input_FromAuxInfo()
191 int bDoNotAddH, int vABParityUnknown, INPUT_TYPE nInputType, in INChIToInchi_Input() argument
223 bDoNotAddH, vABParityUnknown, nInputType, in INChIToInchi_Input()
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| H A D | ichister.c | 1725 int bPointedEdgeStereo, int vABParityUnknown ) in half_stereo_bond_parity() argument
2307 if ( nParity == vABParityUnknown /*AB_PARITY_UNKN*/ ) in half_stereo_bond_action()
2309 if ( nParity == -vABParityUnknown /*AB_PARITY_UNKN*/ ) in half_stereo_bond_action()
2335 nAction = vABParityUnknown /*AB_PARITY_UNKN*/; in half_stereo_bond_action()
2356 nAction = vABParityUnknown /*AB_PARITY_UNKN*/; in half_stereo_bond_action()
3176 if ( parity == vABParityUnknown /*AB_PARITY_UNKN*/ ) { in set_stereo_atom_parity()
3242 if ( parity == vABParityUnknown /*AB_PARITY_UNKN*/ ) { in set_stereo_atom_parity()
3322 if ( parity == vABParityUnknown /*AB_PARITY_UNKN*/ ) { in set_stereo_atom_parity()
3332 if ( parity != vABParityUnknown /*AB_PARITY_UNKN*/ ) { in set_stereo_atom_parity()
3362 if ( parity != vABParityUnknown /*AB_PARITY_UNKN*/ ) { in set_stereo_atom_parity()
[all …]
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| H A D | ichimap4.c | 93 int vABParityUnknown) in map_stereo_bonds4() argument
310 … nNumBest, nNumWorse, nNumUnkn, nNumUndf, nNumCalc, vABParityUnknown); in map_stereo_bonds4()
560 vABParityUnknown); in map_stereo_bonds4()
815 vABParityUnknown); in map_stereo_bonds4()
932 nSymmStereo, NeighList, pCS, cur_tree, 0 , vABParityUnknown); in map_stereo_bonds4()
977 int vABParityUnknown ) in map_stereo_atoms4() argument
1111 vABParityUnknown ); in map_stereo_atoms4()
1292 vABParityUnknown); in map_stereo_atoms4()
1460 vABParityUnknown ); in map_stereo_atoms4()
1610 vABParityUnknown); in map_stereo_atoms4()
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| H A D | ichimap2.c | 85 int vABParityUnknown);
92 int vABParityUnknown);
99 int vABParityUnknown);
1866 int vABParityUnknown) in CalculatedPathsParitiesAreIdentical() argument
2425 int vABParityUnknown) in RemoveCalculatedNonStereoBondParities() argument
2524 pCS, vABParityUnknown ) ) ) { in RemoveCalculatedNonStereoBondParities()
2617 int vABParityUnknown) in RemoveCalculatedNonStereoCenterParities() argument
2752 vABParityUnknown) ) ) { in RemoveCalculatedNonStereoCenterParities()
2841 int vABParityUnknown) in RemoveCalculatedNonStereo() argument
2861 vABParityUnknown); in RemoveCalculatedNonStereo()
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| H A D | ichicano.c | 1278 int vABParityUnknown = AB_PARITY_UNDF; in Canon_INChI3() local
1282 vABParityUnknown = AB_PARITY_UNKN; in Canon_INChI3()
1594 vABParityUnknown); in Canon_INChI3()
1737 vABParityUnknown); in Canon_INChI3()
1951 vABParityUnknown); in Canon_INChI3()
2093 vABParityUnknown); in Canon_INChI3()
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| H A D | ichimap1.c | 516 int vABParityUnknown) in NextStereoParity2Test() argument
566 …*stereo_bond_parity = vABParityUnknown /* AB_PARITY_UNKN */;/* AB_PARITY_UNKN(known): (AB_PARITY_… in NextStereoParity2Test()
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| H A D | inchi_dll_a2.c | 698 cti->vABParityUnknown = AB_PARITY_UNDF; in NormOneComponentINChI()
702 cti->vABParityUnknown = AB_PARITY_UNKN; in NormOneComponentINChI()
1210 z->bPointedEdgeStereo, z->vABParityUnknown ); in Normalization_step()
1329 z->bPointedEdgeStereo, z->vABParityUnknown ); in Normalization_step()
1576 z->nMode |= (z->vABParityUnknown==AB_PARITY_UNDF)? 0 : REQ_MODE_DIFF_UU_STEREO; in Canonicalization_step()
1611 z->nMode |= (z->vABParityUnknown==AB_PARITY_UNDF)? 0 : REQ_MODE_DIFF_UU_STEREO; in Canonicalization_step()
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| H A D | inchi_dll.c | 84 int num_stereo0D, char *pStrErr, int *err, int vABParityUnknown);
1614 int vABParityUnknown = AB_PARITY_UNDF; in ExtractOneStructure() local
1618 vABParityUnknown = AB_PARITY_UNKN; in ExtractOneStructure()
1699 pStrErr, err, vABParityUnknown); in ExtractOneStructure()
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| H A D | ichimake.c | 2861 int vABParityUnknown = AB_PARITY_UNDF; in Create_INChI() local
2865 vABParityUnknown = AB_PARITY_UNKN; in Create_INChI()
2998 bPointedEdgeStereo, vABParityUnknown ); in Create_INChI()
3076 bPointedEdgeStereo, vABParityUnknown ); in Create_INChI()
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| H A D | runichi.c | 1157 int vABParityUnknown = AB_PARITY_UNDF; local
1161 vABParityUnknown = AB_PARITY_UNKN;
1263 bGetOrigCoord, ip->bDoNotAddH, vABParityUnknown,
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| /dports/science/openbabel/openbabel-3.1.1/include/inchi/ |
| H A D | ichicomn.h | 172 int vABParityUnknown);
185 int vABParityUnknown);
194 int vABParityUnknown);
240 int vABParityUnknown);
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| H A D | aux2atom.h | 93 int vABParityUnknown);
231 int bDoNotAddH, int vABParityUnknown, INPUT_TYPE nInputType,
237 int bDoNotAddH, int vABParityUnknown, INPUT_TYPE nInputType, in INChIToInchi_Atom() argument
243 bDoNotAddH, vABParityUnknown, nInputType, at, max_num_at, in INChIToInchi_Atom()
1250 pStrErr, err, vABParityUnknown ); in INChITo_Atom()
2282 pStrErr, err, vABParityUnknown ); in INChITo_Atom()
2407 bDoNotAddH, vABParityUnknown, nInputType, in INChIToInchi_Input()
2541 int vABParityUnknown) in Extract0DParities() argument
2698 at[i1].sb_parity[j1] = vABParityUnknown; in Extract0DParities()
2699 at[i2].sb_parity[j2] = vABParityUnknown; in Extract0DParities()
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| H A D | ichister.h | 56 int bPointedEdgeStereo, int vABParityUnknown );
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| H A D | inchi_dll_a.h | 71 int vABParityUnknown; /* actual value of constant for unknown parity (2009-12-10 ) */ member
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| H A D | inpdef.h | 302 … int bGetOrigCoord, int bDoNotAddH, int vABParityUnknown, INPUT_TYPE nInputType,
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