| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/ |
| H A D | pgutil.cpp | 61 bool bAllowMissing) in atom_not_found() argument
85 if (bAllowMissing) in atom_not_found()
100 bool bAllowMissing, in search_atom() argument
152 bAllowMissing); in search_atom()
192 bAllowMissing); in search_atom()
198 …_atom(const char* type, int resind, const t_atoms* atoms, const char* bondtype, bool bAllowMissing) in search_res_atom() argument
206 return search_atom(type, i, atoms, bondtype, bAllowMissing, gmx::ArrayRef<const int>()); in search_res_atom()
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| H A D | pgutil.h | 71 bool bAllowMissing,
77 …atom(const char* type, int resind, const t_atoms* atoms, const char* bondtype, bool bAllowMissing);
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| H A D | gen_ad.cpp | 339 bool bAllowMissing, in get_impropers() argument
358 bAllowMissing, cyclicBondsIndex); in get_impropers()
445 bool bAllowMissing, in gen_excls() argument
459 … int i1 = search_atom(anm, astart, atoms, "exclusion", bAllowMissing, cyclicBondsIndex); in gen_excls()
461 … int i2 = search_atom(anm, astart, atoms, "exclusion", bAllowMissing, cyclicBondsIndex); in gen_excls()
583 bool bAllowMissing, in gen_pad() argument
604 gen_excls(atoms, excls, globalPatches, bAllowMissing, cyclicBondsIndex); in gen_pad()
908 improper = get_impropers(atoms, globalPatches, bAllowMissing, cyclicBondsIndex); in gen_pad()
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| H A D | pdb2top.h | 106 bool bAllowMissing,
158 bool bAllowMissing,
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| H A D | gen_ad.h | 58 bool bAllowMissing,
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| H A D | pdb2top.cpp | 736 bool bAllowMissing) in do_ssbonds() argument
742 int ai = search_res_atom(bond.firstAtom.c_str(), ri, atoms, "special bond", bAllowMissing); in do_ssbonds()
743 int aj = search_res_atom(bond.secondAtom.c_str(), rj, atoms, "special bond", bAllowMissing); in do_ssbonds()
980 bool bAllowMissing, in get_hackblocks_rtp() argument
1047 if (bAllowMissing) in get_hackblocks_rtp()
1062 if (bAllowMissing) in get_hackblocks_rtp()
1491 bool bAllowMissing, in pdb2top() argument
1521 do_ssbonds(&(plist[F_BONDS]), atoms, ssbonds, bAllowMissing); in pdb2top()
1526 if (bAllowMissing) in pdb2top()
1569 gen_pad(atoms, usedPpResidues, plist, excls, globalPatches, bAllowMissing, cyclicBondsIndex); in pdb2top()
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| H A D | genhydro.cpp | 73 bool bAllowMissing, in pdbasearch_atom() argument
80 return search_atom(name, i, pdba, searchtype, bAllowMissing, cyclicBondsIndex); in pdbasearch_atom()
579 const bool bAllowMissing, in add_h() argument
603 if (!bAllowMissing) in add_h()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/options/ |
| H A D | filenameoptionmanager.cpp | 148 const bool bAllowMissing = option.allowMissing(); in completeFileName() local
155 … if (!impl_->bInputCheckingDisabled_ && bInput && !bAllowMissing && !Directory::exists(value)) in completeFileName()
200 if (bAllowMissing) in completeFileName()
224 else if (!bAllowMissing) in completeFileName()
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