mirror of https://github.com/CGAL/cgal
replace some size with distance
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parent
9f2f9be17a
commit
2fb47638dd
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@ -89,8 +89,8 @@ int main(int argc, char *argv[]){
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PDB pdb(in, verbose);
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if (verbose) std::cout << "Input PDB has " << pdb.models().size() << " models." << std::endl;
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if (pdb.models().size() != 1){
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if (verbose) std::cout << "Input PDB has " << CGAL::PDB::distance(pdb.models()) << " models." << std::endl;
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if (CGAL::PDB::distance(pdb.models()) != 1){
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std::cout << "Attempting to write multiple image files: assuming the output argument has a %d in it.\n";
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}
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@ -105,7 +105,7 @@ int main(int argc, char *argv[]){
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if (!output_file.empty()) {
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char buf[100000];
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if (pdb.models().size() != 1){
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if (CGAL::PDB::distance(pdb.models()) != 1){
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sprintf(buf, output_file.c_str(), m.key().index());
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} else {
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sprintf(buf, output_file.c_str());
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@ -19,6 +19,7 @@
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MA 02110-1301, USA. */
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#include <CGAL/PDB/PDB.h>
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#include <CGAL/PDB/range.h>
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#include <cstdlib>
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#include <iostream>
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#include <fstream>
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@ -78,13 +79,14 @@ int main(int argc, char *argv[]){
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}
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PDB inpdb(in, verbose);
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std::cout << "File " << input_files[i]
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<< " " << inpdb.models().size() << " models" << std::endl;
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<< " " << CGAL::PDB::distance(inpdb.models()) << " models" << std::endl;
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CGAL_PDB_FOREACH(const PDB::Model_pair& m, inpdb.models()) {
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std::cout << "Model " << m.key() << std::endl;
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CGAL_PDB_FOREACH(const Model::Chain_pair &c,
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m.model().chains()) {
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std::cout << " Chain " << c.key() << " has " << c.chain().monomers().size()
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std::cout << " Chain " << c.key() << " has "
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<< CGAL::PDB::distance(c.chain().monomers())
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<< " residues" << std::endl;
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}
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}
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@ -115,11 +115,11 @@ int main(int argc, char *argv[]){
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PDB pdb(in, verbose);
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if (verbose) std::cout << "Input PDB has " << pdb.models().size() << " models." << std::endl;
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if (verbose) std::cout << "Input PDB has " << CGAL::PDB::distance(pdb.models()) << " models." << std::endl;
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CGAL_PDB_FOREACH(PDB::Model_pair &m, pdb.models()) {
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std::cout << "Model " << m.key() << " has " << m.model().chains().size()
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std::cout << "Model " << m.key() << " has " << CGAL::PDB::distance(m.model().chains())
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<< " chains."<< std::endl;
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CGAL_PDB_FOREACH(Chain &c, make_chain_range(m.model().chains())) {
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CGAL_PDB_FOREACH(Monomer &r, make_monomer_range(c.monomers())) {
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@ -49,8 +49,8 @@ int main(int argc, char *argv[]) {
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std::cout << c.chain().name();
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}
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std::cout << std::endl;
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std::cout << " " << CGAL::PDB::size(c.chain().atoms())<< " atoms" << std::endl;
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std::cout << " " << CGAL::PDB::size(c.chain().bonds()) << " bonds" << std::endl;
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std::cout << " " << CGAL::PDB::distance(c.chain().atoms())<< " atoms" << std::endl;
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std::cout << " " << CGAL::PDB::distance(c.chain().bonds()) << " bonds" << std::endl;
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}
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}
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@ -124,19 +124,10 @@ inline bool Atom::operator!=(const Atom &o) const {
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}
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//! Assign unique indices to all atoms in the sequence, starting at optional start value
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/*!
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This returns the next unused index.
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*/
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template <class Range>
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inline int index_atoms(Range &r, int start=0) {
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for (typename Range::iterator c=r.begin(); c!= r.end(); ++c) {
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c->atom().set_index(Atom::Index(start++));
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}
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return start;
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}
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template <class Range>
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inline int index_atoms(Range r, int start=0) {
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for (typename Range::iterator c=r.begin(); c!= r.end(); ++c) {
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@ -24,6 +24,7 @@
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#include <CGAL/PDB/basic.h>
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#include <CGAL/PDB/Chain.h>
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#include <CGAL/PDB/Matrix.h>
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#include <CGAL/PDB/range.h>
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#include <cmath>
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#include <debug/vector>
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namespace CGAL { namespace PDB {
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@ -137,7 +137,7 @@ struct Get_bond_indices {
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//! Return an iterator range which returns a pair of indices for a bond
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template <class Range>
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internal::rangelib::transformed_range<Range, Get_bond_indices>
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make_bond_indices_range(const Range &r){
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make_bond_indices_range(Range r){
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return internal::rangelib::transformed(r,Get_bond_indices());
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}
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@ -157,7 +157,7 @@ struct Is_backbone {
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//! Return an iterator range which returns skips non-backbone atoms
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template <class Range>
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internal::rangelib::filtered_range<Range, Is_backbone>
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make_backbone_range(const Range& r){
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make_backbone_range(Range r){
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return internal::rangelib::filtered(r, Is_backbone());
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}
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@ -173,7 +173,7 @@ struct Is_CA {
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//! Return an iterator range which returns skips non-backbone atoms
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template <class Range>
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internal::rangelib::filtered_range<Range, Is_CA>
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make_backbone_range(const Range& r){
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make_ca_range(Range r){
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return internal::rangelib::filtered(r, Is_CA());
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}
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@ -211,7 +211,7 @@ struct Is_ok_bond {
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//! Return an iterator range which returns skips non-backbone atoms
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template <class Range, class OKA>
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internal::rangelib::filtered_range<Range, Is_ok_bond<OKA> >
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make_backbone_range(OKA oka, const Range& r){
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make_backbone_range(OKA oka, Range r){
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return internal::rangelib::filtered(r, Is_ok_bond<OKA>(oka));
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}
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