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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;
}
/*===========================================================================*/
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