/usr/include/clipper/minimol/container_minimol.h is in libclipper-dev 2.1.20130601-2.1ubuntu1.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 | /*! \file container_minimol.h
Header file for atomic model types */
//C Copyright (C) 2000-2006 Kevin Cowtan and University of York
//L
//L This library is free software and is distributed under the terms
//L and conditions of version 2.1 of the GNU Lesser General Public
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//L that work under terms of your choice, provided that you give
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//L version of the Library is used in it, and that you include or
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//L Library you must distribute those, but you do not need to
//L distribute source or object code to those portions of the work
//L not covered by this licence.)'
//L
//L Note that this clause grants an additional right and does not impose
//L any additional restriction, and so does not affect compatibility
//L with the GNU General Public Licence (GPL). If you wish to negotiate
//L other terms, please contact the maintainer.
//L
//L You can redistribute it and/or modify the library under the terms of
//L the GNU Lesser General Public License as published by the Free Software
//L Foundation; either version 2.1 of the License, or (at your option) any
//L later version.
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//L This library is distributed in the hope that it will be useful, but
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//L Lesser General Public License for more details.
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#ifndef CLIPPER_CONTAINER_MINIMOL
#define CLIPPER_CONTAINER_MINIMOL
#include "../core/container_types.h"
#include "minimol.h"
namespace clipper {
//! MiniMol container
/*! See clipper::MiniMol for method descriptions. */
class CMiniMol : public Container, public MiniMol
{
public:
//! null constructor
CMiniMol() {}
//! constructor: inherit spacegroup, cell
CMiniMol( Container& parent, const String name = "" );
//! initialiser: supply or inherit spacegroup, cell
void init( const Spacegroup& spacegroup, const Cell& cell );
//! hierarchical update
void update();
};
} // namespace clipper
#endif
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