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/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/tests/
H A Dtest_bead.cc45 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
49 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
58 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
62 Bead *b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
69 BOOST_CHECK_EQUAL(b->getResnr(), resnr); in BOOST_AUTO_TEST_CASE()
80 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
84 Bead *b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
H A Dtest_beadtriple.cc46 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
50 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
53 resnr = 0; in BOOST_AUTO_TEST_CASE()
57 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
60 resnr = 0; in BOOST_AUTO_TEST_CASE()
64 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
H A Dtest_triplelist.cc53 votca::Index resnr = 0;
57 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge);
60 resnr = 0;
64 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge);
67 resnr = 0;
71 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge);
H A Dtest_nblistgrid_3body.cc61 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
65 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
74 resnr = 0; in BOOST_AUTO_TEST_CASE()
77 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
86 resnr = 0; in BOOST_AUTO_TEST_CASE()
89 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
H A Dtest_nblist_3body.cc62 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
66 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
72 resnr = 0; in BOOST_AUTO_TEST_CASE()
75 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
82 resnr = 0; in BOOST_AUTO_TEST_CASE()
85 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/tests/
H A Dtest_bead.cc45 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
49 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
58 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
62 Bead *b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
69 BOOST_CHECK_EQUAL(b->getResnr(), resnr); in BOOST_AUTO_TEST_CASE()
80 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
84 Bead *b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
H A Dtest_beadtriple.cc46 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
50 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
53 resnr = 0; in BOOST_AUTO_TEST_CASE()
57 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
60 resnr = 0; in BOOST_AUTO_TEST_CASE()
64 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
H A Dtest_triplelist.cc53 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
57 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
60 resnr = 0; in BOOST_AUTO_TEST_CASE()
64 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
67 resnr = 0; in BOOST_AUTO_TEST_CASE()
71 top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, charge); in BOOST_AUTO_TEST_CASE()
H A Dtest_nblist_3body.cc62 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
66 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
72 resnr = 0; in BOOST_AUTO_TEST_CASE()
75 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
82 resnr = 0; in BOOST_AUTO_TEST_CASE()
85 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
H A Dtest_nblistgrid_3body.cc61 votca::Index resnr = 0; in BOOST_AUTO_TEST_CASE() local
65 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
74 resnr = 0; in BOOST_AUTO_TEST_CASE()
77 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
86 resnr = 0; in BOOST_AUTO_TEST_CASE()
89 b = top.CreateBead(Bead::spherical, name, bead_type_name, resnr, mass, in BOOST_AUTO_TEST_CASE()
/dports/science/gromacs/gromacs-2021.4/scripts/
H A Dxplor2gmx.pl38 my @resnr;
44 $resnr[$natom] = $tmp[4];
58 $resname[$resnr[$i]],$resnr[$i]);
232 for ($i = 0; ($i < $natom) && ($resnr[$i] < $r1); $i++) { ; }
233 for ( ; ($i < $natom) && ($resnr[$i] == $r1); $i++) {
243 for ($j = 0; ($j < $natom) && ($resnr[$j] < $r2); $j++) { ; }
244 for ( ; ($j < $natom) && ($resnr[$j] == $r2); $j++) {
/dports/net-im/tg_owt/tg_owt-d578c76/src/third_party/openh264/src/codec/build/
H A Dgenerate_codec_ver.sh37 resnr="${tmp%%.*}"
39 echo "static const OpenH264Version g_stCodecVersion = {$major, $minor, $revnr, $resnr};" >>codec_v…
52 echo "#define OPENH264_RESERVED ($resnr)" >>codec_ver.h
61 …d "s/\$MINOR/$minor/g" | sed "s/\$REVISION/$revnr/g" | sed "s/\$RESERVED/$resnr/g" > openh264.rc.t…
/dports/www/qt5-webengine/qtwebengine-everywhere-src-5.15.2/src/3rdparty/chromium/third_party/openh264/src/codec/build/
H A Dgenerate_codec_ver.sh37 resnr="${tmp%%.*}"
39 echo "static const OpenH264Version g_stCodecVersion = {$major, $minor, $revnr, $resnr};" >>codec_v…
52 echo "#define OPENH264_RESERVED ($resnr)" >>codec_ver.h
61 …d "s/\$MINOR/$minor/g" | sed "s/\$REVISION/$revnr/g" | sed "s/\$RESERVED/$resnr/g" > openh264.rc.t…
/dports/www/chromium-legacy/chromium-88.0.4324.182/third_party/openh264/src/codec/build/
H A Dgenerate_codec_ver.sh37 resnr="${tmp%%.*}"
39 echo "static const OpenH264Version g_stCodecVersion = {$major, $minor, $revnr, $resnr};" >>codec_v…
52 echo "#define OPENH264_RESERVED ($resnr)" >>codec_ver.h
61 …d "s/\$MINOR/$minor/g" | sed "s/\$REVISION/$revnr/g" | sed "s/\$RESERVED/$resnr/g" > openh264.rc.t…
/dports/multimedia/openh264/openh264-2.1.1/codec/build/
H A Dgenerate_codec_ver.sh37 resnr="${tmp%%.*}"
39 echo "static const OpenH264Version g_stCodecVersion = {$major, $minor, $revnr, $resnr};" >>codec_v…
52 echo "#define OPENH264_RESERVED ($resnr)" >>codec_ver.h
61 …d "s/\$MINOR/$minor/g" | sed "s/\$REVISION/$revnr/g" | sed "s/\$RESERVED/$resnr/g" > openh264.rc.t…
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/libxtp/
H A Datom.cc30 Atom::Atom(Index resnr, std::string md_atom_name, Index atom_id, in Atom() argument
32 : id_(atom_id), name_(md_atom_name), resnr_(resnr), pos_(pos) { in Atom()
95 table.addCol<Index>("resnr", HOFFSET(data, resnr)); in SetupCptTable()
105 d.resnr = resnr_; in WriteData()
117 resnr_ = d.resnr; in ReadData()
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/libxtp/
H A Datom.cc30 Atom::Atom(Index resnr, std::string md_atom_name, Index atom_id,
32 : id_(atom_id), name_(md_atom_name), resnr_(resnr), pos_(pos) {
95 table.addCol<Index>("resnr", HOFFSET(data, resnr));
105 d.resnr = resnr_;
117 resnr_ = d.resnr;
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/include/votca/xtp/
H A Datom.h44 Index resnr; member
46 Atom(Index resnr, std::string md_atom_name, Index atom_id,
61 void setResnr(Index resnr) { resnr_ = resnr; } in setResnr() argument
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/include/votca/xtp/
H A Datom.h44 Index resnr; in Matches()
46 Atom(Index resnr, std::string md_atom_name, Index atom_id, in Matches()
61 void setResnr(Index resnr) { resnr_ = resnr; } in Matches()
/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/libcsg/modules/io/
H A Dgroreader.cc115 Index resnr = boost::lexical_cast<Index>(resNum);
116 if (resnr < 1) {
120 if (resnr > top.ResidueCount()) {
121 while ((resnr - 1) > top.ResidueCount()) { // gro resnr should start
138 b = top.CreateBead(Bead::spherical, atName, atName, resnr - 1, 1., 0.);
/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/libcsg/modules/io/
H A Dgroreader.cc115 Index resnr = boost::lexical_cast<Index>(resNum); in NextFrame() local
116 if (resnr < 1) { in NextFrame()
120 if (resnr > top.ResidueCount()) { in NextFrame()
121 while ((resnr - 1) > top.ResidueCount()) { // gro resnr should start in NextFrame()
138 b = top.CreateBead(Bead::spherical, atName, atName, resnr - 1, 1., 0.); in NextFrame()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxana/
H A Dgmx_rmsdist.cpp186 int neq, na, n, resnr; in read_equiv() local
204 while (sscanf(lp, "%d %s %s %n", &resnr, resname, atomname, &n) == 3) in read_equiv()
209 equiv[neq][na].rnr = resnr - 1; in read_equiv()
682 real ** d_r, **d, **dtot, **dtot2, **mean, **rms, **rmsc, *resnr; in gmx_rmsdist() local
768 snew(resnr, isize); in gmx_rmsdist()
783 resnr[i] = i + 1; in gmx_rmsdist()
859 "Atom Index", isize, isize, resnr, resnr, rms, 0.0, rmsmax, rlo, rhi, &nlevels); in gmx_rmsdist()
865 "Atom Index", isize, isize, resnr, resnr, rmsc, 0.0, rmscmax, rlo, rhi, &nlevels); in gmx_rmsdist()
871 "Atom Index", "Atom Index", isize, isize, resnr, resnr, mean, 0.0, meanmax, rlo, in gmx_rmsdist()
878 "Distance (nm)", "Atom Index", "Atom Index", isize, isize, resnr, resnr, dtot1_3, in gmx_rmsdist()
[all …]
H A Dgmx_mdmat.cpp224 real ** mdmat, *resnr, **totmdmat; in gmx_mdmat() local
286 snew(resnr, nres); in gmx_mdmat()
297 resnr[i] = i + 1; in gmx_mdmat()
348 resnr, resnr, mdmat, 0, truncate, rlo, rhi, &nlevels); in gmx_mdmat()
369 "Residue Index", "Residue Index", nres, nres, resnr, resnr, totmdmat, 0, truncate, in gmx_mdmat()
/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/tools/
H A Dcsg_dump.cc86 votca::Index resnr = mol.getBead(i)->getResnr(); in EvaluateTopology() local
89 << mol.getBead(i)->getMass() << " Resnr " << resnr << " Resname " in EvaluateTopology()
90 << top->getResidue(resnr).getName() << " Charge " in EvaluateTopology()
/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/tools/
H A Dcsg_dump.cc86 votca::Index resnr = mol.getBead(i)->getResnr();
89 << mol.getBead(i)->getMass() << " Resnr " << resnr << " Resname "
90 << top->getResidue(resnr).getName() << " Charge "

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