dsrpdb::PDB Class Reference

#include <PDB.h>

List of all members.

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Detailed Description

A class for representing a whole PDB file with possibly several models.

See pdb_split.cc for an example manipulating a PDB by splitting it into parts.

Examples:

pdb_align.cc, pdb_align_points.cc, pdb_distance.cc, and pdb_split.cc.

Definition at line 36 of file PDB.h.

Public Types
typedef std::vector< std::string >::const_iterator	Header_iterator
typedef std::vector< Model >::const_iterator	Const_models_iterator
typedef std::vector< Model >::iterator	Models_iterator
Public Member Functions
	PDB (std::istream &in, bool print_errors=false)
	PDB ()
void	write (std::ostream &out) const
const Model &	model (unsigned int i) const
Model &	model (unsigned int i)
void	new_model (const Model &m)
size_t	number_of_models () const
Header_iterator	header_begin () const
Header_iterator	header_end () const
template<class It>
void	set_header (It b, It e)
Const_models_iterator	models_begin () const
Const_models_iterator	models_end () const
Models_iterator	models_begin ()
Models_iterator	models_end ()
Protected Attributes
std::vector< std::string >	header_
std::vector< Model >	models_

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Member Typedef Documentation

typedef std::vector<Model>::const_iterator dsrpdb::PDB::Const_models_iterator

iterator for models Definition at line 73 of file PDB.h.

typedef std::vector<Model>::iterator dsrpdb::PDB::Models_iterator

non-const iterator for models Definition at line 75 of file PDB.h.

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Constructor & Destructor Documentation

dsrpdb::PDB::PDB (  std::istream &  in, bool  print_errors = false )

Read a pdb file from the stream. The optional bool controls whether errors (such as unparsable PDB lines). Set it to false to disable printing errors.

dsrpdb::PDB::PDB (   )

Construct a empty PDB.

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Member Function Documentation

Header_iterator dsrpdb::PDB::header_begin (   )  const

iterator through the lines of the header

Header_iterator dsrpdb::PDB::header_end (   )  const

end iterator

Model& dsrpdb::PDB::model (  unsigned int  i  )

get the ith model

const Model& dsrpdb::PDB::model (  unsigned int  i  )  const

get the ith model

void dsrpdb::PDB::new_model (  const Model &  m  )

set a model Examples: pdb_split.cc.

size_t dsrpdb::PDB::number_of_models (   )  const

how many models are there?

template<class It> void dsrpdb::PDB::set_header (  It  b, It  e )  [inline]

Set the header. Examples: pdb_split.cc. Definition at line 67 of file PDB.h. References header_.

void dsrpdb::PDB::write (  std::ostream &  out  )  const

Write a pdb file to the stream. Examples: pdb_split.cc.

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The documentation for this class was generated from the following file:

• PDB.h