| /dports/misc/vxl/vxl-3.3.2/core/vgl/ |
| H A D | vgl_polygon_scan_iterator.hxx | 54 return chs_[u.chainnum][u.vertnum].y() < chs_[v.chainnum][v.vertnum].y(); in operator ()()
151 yverts[ i ].chainnum = j; in init()
200 !( crossedges[j].v.chainnum == v.chainnum && in delete_edge()
268 void vgl_polygon_scan_iterator<T>::get_crossedge_vertices(int * &chainnum, int * &vertnum, int & nu… in get_crossedge_vertices() argument
272 chainnum=new int[num_crossedges]; in get_crossedge_vertices()
276 chainnum[current] = crossedges[current].v.chainnum; in get_crossedge_vertices()
402 if ( nextvert.vertnum == int(poly_[nextvert.chainnum].size()) ) in get_next_vert()
416 prevvert.vertnum = int(poly_[prevvert.chainnum].size() - 1); in get_prev_vert()
452 << "v: chainnum=" << crossedges[i].v.chainnum in display_crossedges()
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| H A D | vgl_polygon_scan_iterator.h | 118 void get_crossedge_vertices(int * &chainnum, int * &vertnum, int & numcrossedges);
121 int chainnum; //!< which chain the vertex is part of member
145 inline T get_x(vertind v) const { return poly_[v.chainnum][v.vertnum].x(); } in get_x()
148 inline T get_y(vertind v) const { return poly_[v.chainnum][v.vertnum].y(); } in get_y()
151 inline Point2 get_pt( vertind v ) const { return poly_[v.chainnum][v.vertnum]; } in get_pt()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/ |
| H A D | xlate.cpp | 181 …bStartTerm = (resind == 0) || atoms->resinfo[resind].chainnum != atoms->resinfo[resind - 1].chainn… in rename_atoms()
183 || atoms->resinfo[resind].chainnum != atoms->resinfo[resind + 1].chainnum; in rename_atoms()
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| H A D | pdb2gmx.cpp | 1220 old_this_chainnum = ri->chainnum; in modify_chain_numbers()
1295 ri->chainnum = new_chainnum; in modify_chain_numbers()
1390 char chainnum = ' '; member
1401 int chainnum = ' '; member
1999 this_chainnumber = ri->chainnum; in run()
2074 newChain.chainnum = ri->chainnum; in run()
2129 chains[i].chainnum = pdb_ch[si].chainnum; in run()
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| H A D | pdb2top.cpp | 1430 cmap_chainnum = resinfo[this_residue_index].chainnum; in gen_cmap()
1437 bAddCMAP = bAddCMAP && cmap_chainnum == resinfo[this_residue_index].chainnum; in gen_cmap()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/topology/ |
| H A D | atoms.h | 102 int chainnum; /* Iincremented at TER or new chain id */ member
181 int chainnum,
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| H A D | atoms.cpp | 247 int chainnum, in t_atoms_set_resinfo() argument
257 ri->chainnum = chainnum; in t_atoms_set_resinfo()
369 cmp_int(fp, "chainnum", residue, r1.chainnum, r2.chainnum); in compareResinfo()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/trajectoryanalysis/tests/ |
| H A D | topologyinformation.cpp | 160 EXPECT_EQ(0, atoms->resinfo[4].chainnum); in TEST()
193 EXPECT_EQ(0, atoms->resinfo[4].chainnum); in TEST()
244 EXPECT_EQ(0, atoms->resinfo[4].chainnum); in TEST()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/fileio/ |
| H A D | pdbio.cpp | 542 …m(t_symtab* symtab, const char line[], int type, int natom, t_atoms* atoms, rvec x[], int chainnum) in read_atom() argument
656 t_atoms_set_resinfo(atoms, natom, symtab, resnm, resnr, resic, chainnum, chainid); in read_atom()
803 int natom, chainnum; in read_pdbfile() local
825 chainnum = 0; in read_pdbfile()
834 natom = read_atom(symtab, line, line_type, natom, atoms, x, chainnum); in read_pdbfile()
915 case epdbTER: chainnum++; break; in read_pdbfile()
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| H A D | espio.cpp | 299 atoms->resinfo[atoms->atom[i].resind].chainnum = in gmx_espresso_read_conf()
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| H A D | confio.cpp | 300 atoms->resinfo[atoms->atom[a].resind].chainnum = nextChainNumber_; in fill()
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| /dports/science/openbabel/openbabel-3.1.1/src/ |
| H A D | residue.cpp | 947 void OBResidue::SetChainNum(unsigned int chainnum) in SetChainNum() argument
949 _chain = (char) ('A' + chainnum - 1); in SetChainNum()
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| /dports/science/openbabel/openbabel-3.1.1/include/openbabel/ |
| H A D | residue.h | 86 void SetChainNum(const unsigned int chainnum);
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| /dports/biology/lamarc/lamarc-2.1.8/src/control/ |
| H A D | chainmanager.cpp | 1168 long int chainnum = chain; in DoChainFromSummaryFile() local
1172 chainnum += registry.GetChainParameters().GetNChains(0); in DoChainFromSummaryFile()
1178 ChainOut chout = m_chainpack.GetChain(region, rep, chainnum); in DoChainFromSummaryFile()
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| /dports/x11/xmascot/xmascot-2.6a.20200830/ |
| H A D | README.jp | 240 -chainnum $B:?$N8D?t$r;XDj$7$^$9!#(B
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| /dports/science/openbabel/openbabel-3.1.1/scripts/R/examples/openbabelR/src/ |
| H A D | openbabel-R.cpp | 14279 SWIGEXPORT SEXP R_swig_OBResidue_SetChainNum ( SEXP self, SEXP chainnum) { in R_swig_OBResidue_SetChainNum() argument
14284 …arg1 = reinterpret_cast< OpenBabel::OBResidue * >(argp1); ecode2 = SWIG_AsVal_int(chainnum, &val2)… in R_swig_OBResidue_SetChainNum()
36036 SWIGEXPORT SEXP R_swig_OBResidueIter_SetChainNum ( SEXP self, SEXP chainnum) { in R_swig_OBResidueIter_SetChainNum() argument
36041 …arg1 = reinterpret_cast< OpenBabel::OBResidueIter * >(argp1); ecode2 = SWIG_AsVal_int(chainnum, &v… in R_swig_OBResidueIter_SetChainNum()
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