File: select_complement.c

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/* Copyright (C) 2000-2002 Damir Zucic */

/*=============================================================================

				select_complement.c

Purpose:
	Select the complement - atoms which were not selected  previously
	will be selected,  atoms which were selected  will be unselected.

Input:
	(1) Pointer to MolComplexS structure, with macromol. complexes.
	(2) Number of macromolecular complexes.
	(3) Selection mode index (0 = overwrite, 1 = restrict, 2 = expand
	    previous selection).

Output:
	(1) The flag  selectedF set to zero for atoms which were selected
	    before and to one for atoms which were not selected.  This is
	    done for every caught macromolecular complex.
	(2) Return value.

Return value:
	(1) The number of selected atoms (zero or positive value).

Notes:
	(1) Indentation is exceptionally four spaces.

	(2) The position_changedF is updated,  because some atoms may not
	    have the proper color.

========includes:============================================================*/

#include <stdio.h>

#include <string.h>

#include <X11/Xlib.h>
#include <X11/Xutil.h>
#include <X11/Xos.h>
#include <X11/Xatom.h>

#include "defines.h"
#include "typedefs.h"

/*======select complement:===================================================*/

long SelectComplement_ (MolComplexS *mol_complexSP, int mol_complexesN,
			int selection_modeI)
{
long		selected_atomsN = 0;
int		mol_complexI;
MolComplexS	*curr_mol_complexSP;
size_t		atomsN, atomI;
AtomS		*curr_atomSP;
int		previousF, newF;

/* Check every macromolecular complex: */
for (mol_complexI = 0; mol_complexI < mol_complexesN; mol_complexI++)
    {
    /** Pointer to the current macromolecular complex: **/
    curr_mol_complexSP = mol_complexSP + mol_complexI;

    /** Check is the current macromolecular complex caught: **/
    if (curr_mol_complexSP->catchF == 0) continue;

    /** Number of atoms in a macromolecular complex: **/
    atomsN = curr_mol_complexSP->atomsN;

    /** Scan all atoms in the current complex: **/
    for (atomI = 0; atomI < atomsN; atomI++)
	{
	/** Pointer to the current atom: **/
	curr_atomSP = curr_mol_complexSP->atomSP + atomI;

	/** Check the current selectF value: **/
	previousF = curr_atomSP->selectedF;

	/** Prepare the new selectF value: **/
	if (previousF == 0) newF = 1;
	else newF = 0;

	/** Change the selection flag for the current atom: **/
	switch (selection_modeI)
	    {
	    /*** Overwrite the previous selection: ***/
	    case 0:
		curr_atomSP->selectedF = newF;
		break;

	    /*** Restrict the previous selection: ***/
	    case 1:
		curr_atomSP->selectedF &= newF;
		break;

	    /*** Expand the previous selection: ***/
	    case 2:
		curr_atomSP->selectedF |= newF;
		break;

	    default:
		;
	    }

	/** Check the selection flag; increase **/
	/** the count if flag is equal to one: **/
	if (curr_atomSP->selectedF) selected_atomsN++;
	}

    /** Update the position_changedF (some atoms may have bad color): **/
    curr_mol_complexSP->position_changedF = 1;
    }

/* Return the number of selected atoms: */
return selected_atomsN;
}

/*===========================================================================*/