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// Clipper create missing data demo
/* (C) 2003 Kevin Cowtan */
// This is more of a demo application than a serious version
/*
Usage: anisodemo input.mtz input_columns output.mtz fraction
e.g.
./anisodemo ../test/testfile.mtz '/native/peak/[FP,SIGFP]' out.mtz 0.05
*/
#include <clipper/clipper.h>
#include <clipper/clipper-ccp4.h>
extern "C" {
#include <stdlib.h>
}
int main( int argc, char** argv )
{
// make data object
clipper::HKL_info hkls;
clipper::HKL_data<clipper::data32::F_sigF> fsig( hkls );
// read data from mtz
clipper::CCP4MTZfile mtz;
mtz.open_read( argv[1] );
mtz.import_hkl_info( hkls );
mtz.import_hkl_data( fsig, argv[2] );
mtz.close_read();
// get fraction
double frac = clipper::String( argv[4] ).f();
clipper::HKL_info::HKL_reference_index ih;
for ( ih = hkls.first(); !ih.last(); ih.next() )
if ( 0.0001*double(random()%10000) < frac )
fsig[ih] = clipper::data32::F_sigF();
// write data to mtz
mtz.open_append( argv[1], argv[3] );
mtz.export_hkl_data( fsig, "/*/*/missing" );
mtz.close_append();
}
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