/usr/include/clipper/phs/phs_io.h is in libclipper-dev 2.1+20100511-0ubuntu1.
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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 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 | /*! \file lib/phs_io.h
Header file for reflection data phs importer
*/
//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 Library you must distribute those, but you do not need to
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//L not covered by this licence.)'
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//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
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//L Lesser General Public License for more details.
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#ifndef CLIPPER_PHS_IO
#define CLIPPER_PHS_IO
#include "../core/hkl_datatypes.h"
namespace clipper
{
//! PHS import/export parent class for clipper objects
/*! This is the import/export class which can be linked to an phs
file and be used to transfer data into or out of a Clipper
data structure. */
class PHSfile
{
public:
//! Constructor: does nothing
PHSfile();
//! Destructor: close any file that was left open
~PHSfile();
//! Open a file for read access
void open_read( const String filename_in );
//! Close a file after reading
void close_read();
//! Open a file for write access
void open_write( const String filename_out );
//! Close a file after writing
void close_write();
//! get file resolution
Resolution resolution( const Cell& cell ) const;
//! read the reflection list from the PHS file
void import_hkl_info( HKL_info& target );
//! mark a hkl_data for import from PHS file
void import_hkl_data( HKL_data_base& cdata );
//! write the reflection list to the PHS file
void export_hkl_info( const HKL_info& target );
//! mark a hkl_data for export to PHS file
void export_hkl_data( const HKL_data_base& cdata );
private:
enum PHSmode { NONE, READ, WRITE };
PHSmode mode; //!< file mode
String filename; //!< input/output file
HKL_data_base* f_sigf_i; //!< input HKL_data object
HKL_data_base* phi_wt_i; //!< input HKL_data object
const HKL_data_base* f_sigf_o; //!< output HKL_data object
const HKL_data_base* phi_wt_o; //!< output HKL_data object
//! object which supplies the hkl list (write mode only)
const HKL_info* hkl_ptr;
};
} // namespace clipper
#endif
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