replace some size with distance

This commit is contained in:
Daniel Russel 2009-04-08 22:11:30 +00:00
parent 9f2f9be17a
commit 2fb47638dd
7 changed files with 16 additions and 22 deletions

View File

@ -89,8 +89,8 @@ int main(int argc, char *argv[]){
PDB pdb(in, verbose);
if (verbose) std::cout << "Input PDB has " << pdb.models().size() << " models." << std::endl;
if (pdb.models().size() != 1){
if (verbose) std::cout << "Input PDB has " << CGAL::PDB::distance(pdb.models()) << " models." << std::endl;
if (CGAL::PDB::distance(pdb.models()) != 1){
std::cout << "Attempting to write multiple image files: assuming the output argument has a %d in it.\n";
}
@ -105,7 +105,7 @@ int main(int argc, char *argv[]){
if (!output_file.empty()) {
char buf[100000];
if (pdb.models().size() != 1){
if (CGAL::PDB::distance(pdb.models()) != 1){
sprintf(buf, output_file.c_str(), m.key().index());
} else {
sprintf(buf, output_file.c_str());

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@ -19,6 +19,7 @@
MA 02110-1301, USA. */
#include <CGAL/PDB/PDB.h>
#include <CGAL/PDB/range.h>
#include <cstdlib>
#include <iostream>
#include <fstream>
@ -78,13 +79,14 @@ int main(int argc, char *argv[]){
}
PDB inpdb(in, verbose);
std::cout << "File " << input_files[i]
<< " " << inpdb.models().size() << " models" << std::endl;
<< " " << CGAL::PDB::distance(inpdb.models()) << " models" << std::endl;
CGAL_PDB_FOREACH(const PDB::Model_pair& m, inpdb.models()) {
std::cout << "Model " << m.key() << std::endl;
CGAL_PDB_FOREACH(const Model::Chain_pair &c,
m.model().chains()) {
std::cout << " Chain " << c.key() << " has " << c.chain().monomers().size()
std::cout << " Chain " << c.key() << " has "
<< CGAL::PDB::distance(c.chain().monomers())
<< " residues" << std::endl;
}
}

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@ -115,11 +115,11 @@ int main(int argc, char *argv[]){
PDB pdb(in, verbose);
if (verbose) std::cout << "Input PDB has " << pdb.models().size() << " models." << std::endl;
if (verbose) std::cout << "Input PDB has " << CGAL::PDB::distance(pdb.models()) << " models." << std::endl;
CGAL_PDB_FOREACH(PDB::Model_pair &m, pdb.models()) {
std::cout << "Model " << m.key() << " has " << m.model().chains().size()
std::cout << "Model " << m.key() << " has " << CGAL::PDB::distance(m.model().chains())
<< " chains."<< std::endl;
CGAL_PDB_FOREACH(Chain &c, make_chain_range(m.model().chains())) {
CGAL_PDB_FOREACH(Monomer &r, make_monomer_range(c.monomers())) {

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@ -49,8 +49,8 @@ int main(int argc, char *argv[]) {
std::cout << c.chain().name();
}
std::cout << std::endl;
std::cout << " " << CGAL::PDB::size(c.chain().atoms())<< " atoms" << std::endl;
std::cout << " " << CGAL::PDB::size(c.chain().bonds()) << " bonds" << std::endl;
std::cout << " " << CGAL::PDB::distance(c.chain().atoms())<< " atoms" << std::endl;
std::cout << " " << CGAL::PDB::distance(c.chain().bonds()) << " bonds" << std::endl;
}
}

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@ -124,19 +124,10 @@ inline bool Atom::operator!=(const Atom &o) const {
}
//! Assign unique indices to all atoms in the sequence, starting at optional start value
/*!
This returns the next unused index.
*/
template <class Range>
inline int index_atoms(Range &r, int start=0) {
for (typename Range::iterator c=r.begin(); c!= r.end(); ++c) {
c->atom().set_index(Atom::Index(start++));
}
return start;
}
template <class Range>
inline int index_atoms(Range r, int start=0) {
for (typename Range::iterator c=r.begin(); c!= r.end(); ++c) {

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@ -24,6 +24,7 @@
#include <CGAL/PDB/basic.h>
#include <CGAL/PDB/Chain.h>
#include <CGAL/PDB/Matrix.h>
#include <CGAL/PDB/range.h>
#include <cmath>
#include <debug/vector>
namespace CGAL { namespace PDB {

View File

@ -137,7 +137,7 @@ struct Get_bond_indices {
//! Return an iterator range which returns a pair of indices for a bond
template <class Range>
internal::rangelib::transformed_range<Range, Get_bond_indices>
make_bond_indices_range(const Range &r){
make_bond_indices_range(Range r){
return internal::rangelib::transformed(r,Get_bond_indices());
}
@ -157,7 +157,7 @@ struct Is_backbone {
//! Return an iterator range which returns skips non-backbone atoms
template <class Range>
internal::rangelib::filtered_range<Range, Is_backbone>
make_backbone_range(const Range& r){
make_backbone_range(Range r){
return internal::rangelib::filtered(r, Is_backbone());
}
@ -173,7 +173,7 @@ struct Is_CA {
//! Return an iterator range which returns skips non-backbone atoms
template <class Range>
internal::rangelib::filtered_range<Range, Is_CA>
make_backbone_range(const Range& r){
make_ca_range(Range r){
return internal::rangelib::filtered(r, Is_CA());
}
@ -211,7 +211,7 @@ struct Is_ok_bond {
//! Return an iterator range which returns skips non-backbone atoms
template <class Range, class OKA>
internal::rangelib::filtered_range<Range, Is_ok_bond<OKA> >
make_backbone_range(OKA oka, const Range& r){
make_backbone_range(OKA oka, Range r){
return internal::rangelib::filtered(r, Is_ok_bond<OKA>(oka));
}