/*
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 3.2.0
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2013, The GROMACS development team,
- * check out http://www.gromacs.org for more information.
-
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
+ * Copyright (c) 2001-2013, The GROMACS development team.
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
+ *
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*
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- * bugs must be traceable. We will be happy to consider code for
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*
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+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * To help us fund GROMACS development, we humbly ask that you cite
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*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
#include <math.h>
-#include "sysstuff.h"
+#include <stdlib.h>
#include <string.h>
-#include "smalloc.h"
-#include "macros.h"
-#include "xutil.h"
+
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/txtdump.h"
+#include "gromacs/pbcutil/pbc.h"
+
+#include "gromacs/math/vec.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
+
#include "3dview.h"
-#include "gmx_fatal.h"
#include "buttons.h"
#include "manager.h"
#include "nmol.h"
-#include "vec.h"
-#include "txtdump.h"
-#include "pbc.h"
+#include "xutil.h"
#define MSIZE 4
-static bool MWCallBack(t_x11 *x11, XEvent *event, Window w, void *data)
+static bool MWCallBack(t_x11 *x11, XEvent *event, Window /*w*/, void *data)
{
t_molwin *mw;
Window To;
}
}
-void create_visibility(t_manager *man)
-{
- t_object *obj;
- int i;
-
- for (i = 0, obj = man->obj; (i < man->nobj); i++, obj++)
- {
- if (obj->eV != eVHidden)
- {
- man->bVis[obj->ai] = true;
- switch (obj->eO)
- {
- case eOBond:
- case eOHBond:
- man->bVis[obj->aj] = true;
- break;
- default:
- break;
- }
- }
- }
-}
-
void z_fill(t_manager *man, real *zz)
{
t_object *obj;
int i, j, k, i0, i1;
rvec corner[NCUCEDGE], box_center;
vec4 x4;
- iv2 vec2[NCUCEDGE], tv2;
+ iv2 vec2[NCUCEDGE];
calc_box_center(view->ecenter, box, box_center);
if (boxtype == esbTrunc)
for (i = 0; (i < NCUCEDGE); i++)
{
- m4_op(view->proj, corner[i], x4);
+ gmx_mat4_transform_point(view->proj, corner[i], x4);
v4_to_iv2(x4, vec2[i], x0, y0, sx, sy);
}
XSetForeground(x11->disp, x11->gc, YELLOW);
}
}
rvec_inc(corner[i], box_center);
- m4_op(view->proj, corner[i], x4);
+ gmx_mat4_transform_point(view->proj, corner[i], x4);
v4_to_iv2(x4, vec2[i], x0, y0, sx, sy);
}
if (debug)
}
}
-void set_sizes(t_manager *man, real sx, real sy)
+void set_sizes(t_manager *man)
{
- int i;
-
- for (i = 0; (i < man->natom); i++)
+ for (int i = 0; i < man->natom; i++)
{
if (man->bVis[i])
{
my_init_pbc(man->box);
- /* create_visibility(man); */
-
for (i = 0; (i < man->natom); i++)
{
if (man->bVis[i])
{
- m4_op(view->proj, man->x[i], x4);
+ gmx_mat4_transform_point(view->proj, man->x[i], x4);
man->zz[i] = x4[ZZ];
v4_to_iv2(x4, vec2[i], x0, y0, sx, sy);
}
}
- set_sizes(man, sx, sy);
+ set_sizes(man);
z_fill (man, man->zz);
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff