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/*! \file minimol_seq.h
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Header file for atomic sequence types */
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//C Copyright (C) 2000-2006 Kevin Cowtan and University of York
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//L This library is free software and is distributed under the terms
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//L and conditions of version 2.1 of the GNU Lesser General Public
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//L Licence (LGPL) with the following additional clause:
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//L `You may also combine or link a "work that uses the Library" to
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//L distribute source or object code to those portions of the work
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//L not covered by this licence.)'
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//L Note that this clause grants an additional right and does not impose
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//L any additional restriction, and so does not affect compatibility
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//L with the GNU General Public Licence (GPL). If you wish to negotiate
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//L other terms, please contact the maintainer.
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//L You can redistribute it and/or modify the library under the terms of
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//L the GNU Lesser General Public License as published by the Free Software
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//L Foundation; either version 2.1 of the License, or (at your option) any
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//L This library is distributed in the hope that it will be useful, but
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//L WITHOUT ANY WARRANTY; without even the implied warranty of
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//L MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
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//L Lesser General Public License for more details.
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//L You should have received a copy of the CCP4 licence and/or GNU
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//L Lesser General Public License along with this library; if not, write
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//L The GNU Lesser General Public can also be obtained by writing to the
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#ifndef CLIPPER_MINIMOL_SEQ
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#define CLIPPER_MINIMOL_SEQ
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//! Polymer sequence object
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/*! The polymer sequence object represents the named sequence of a
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class MPolymerSequence
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MPolymerSequence() {} //!< null constructor
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const String& id() const { return id_; } //!< get sequence ID
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void set_id( const String& s ); //!< set sequence ID
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const String& sequence() const { return seq_; } //!< get sequence ID
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void set_sequence( const String& s ); //!< set sequence ID
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static String id_tidy( const String& id ) { return id; } //!< convert ID to std format
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static bool id_match( const String& id1, const String& id2, const MM::MODE& mode ) { return id1 == id2; } //!< compare two ids
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//! Molecule sequence obeject
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/*! The molecule sequence object is a list of polymer sequence
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objects representing the named sequences of all the chains in a
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class MMoleculeSequence
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//! number of polymer sequences in model
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int size() const { return children.size(); }
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//! get polymer sequence
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const MPolymerSequence& operator[] ( const int& i ) const { return children[i]; }
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//! set polymer sequence
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MPolymerSequence& operator[] ( const int& i ) { return children[i]; }
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//! get polymer sequence by id
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const MPolymerSequence& find( const String& n, const MM::MODE mode=MM::UNIQUE ) const;
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//! set polymer sequence by id
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MPolymerSequence& find( const String& n, const MM::MODE mode=MM::UNIQUE );
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//! lookup polymer sequence by id
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int lookup( const String& str, const MM::MODE& mode ) const;
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void insert( const MPolymerSequence& add, int pos=-1 ); //!< add polymer sequence
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bool is_null() const { return (size()==0); } //!< test for null model
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typedef MPolymerSequence CHILDTYPE;
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std::vector<CHILDTYPE> children;
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} // namespace clipper