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/* Copyright (C) 2000-2003 Damir Zucic */
/*=============================================================================
motion_notify.c
Purpose:
Handle MotionNotify events.
Input:
(1) Pointer to MolComplexS structure, with macromol. complexes.
(2) Number of macromolecular complexes.
(3) Pointer to RuntimeS structure, with some runtime data.
(4) Pointer to ConfigS structure, with configuration data.
(5) Pointer to GUIS structure, with GUI data.
(6) Pointer to NearestAtomS structure.
(7) The number of pixels in the main window free area.
(8) Pointer to refreshI.
(9) Pointer to XMotionEvent structure.
Output:
(1) Some data related to the atom under the pointer written to
output window.
(2) Sequence neighborhood of the residue under the pointer may
be written to the main window (if requested).
(3) Return value.
Return value:
(1) Positive on success.
(2) Zero if event is ignored.
(3) Negative on failure.
Notes:
(1) Indentation is exceptionally 4 spaces.
========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"
/*======function prototypes:=================================================*/
int RamaMouse_ (MolComplexS *, int, ConfigS *, GUIS *,
NearestAtomS *, size_t, unsigned int,
XMotionEvent *);
int PlotMouse_ (RuntimeS *, GUIS *,
NearestAtomS *, size_t, unsigned int,
XMotionEvent *);
int ComparisonMouse_ (RuntimeS *, GUIS *,
NearestAtomS *, size_t,
XMotionEvent *);
/*======handle MotionNotify events:==========================================*/
int MotionNotify_ (MolComplexS *mol_complexSP, int mol_complexesN,
RuntimeS *runtimeSP, ConfigS *configSP, GUIS *guiSP,
NearestAtomS *nearest_atomSP, size_t pixelsN,
unsigned int refreshI,
XMotionEvent *motion_eventSP)
{
size_t pixelI;
NearestAtomS *pixelSP;
MolComplexS *curr_mol_complexSP;
AtomS *curr_atomSP;
RawAtomS *raw_atomSP;
static char stringA[STRINGSIZE];
int text_line_height;
int screen_x0, screen_y0;
double tf;
double x, y, z;
ResidueS *curr_residueSP;
double phi, psi, omega, chi1, chi2, chi3;
int central_residueI, first_residueI, last_residueI;
int space_width, space_half_width;
int residueI;
AtomS *first_atomSP;
char *residue_nameP;
char residue_nameA[RESNAMESIZE];
char serial_and_chainA[SHORTSTRINGSIZE];
int residue_name_length, string_length;
int text_width;
int line_x0 = 0, line_x1 = 0;
int width, height;
/* If main window contains Ramachandran plot: */
if (guiSP->main_window_modeI == 1)
{
return RamaMouse_ (mol_complexSP, mol_complexesN,
configSP, guiSP,
nearest_atomSP, pixelsN,
refreshI,
motion_eventSP);
}
/* If main window contains hydrophobicity plots: */
else if (guiSP->main_window_modeI == 4)
{
return PlotMouse_ (runtimeSP, guiSP,
nearest_atomSP, pixelsN, refreshI,
motion_eventSP);
}
/* If main window contains sequence comparison: */
else if (guiSP->main_window_modeI == 5)
{
return ComparisonMouse_ (runtimeSP, guiSP,
nearest_atomSP, pixelsN,
motion_eventSP);
}
/* If the event came from child window, return zero: */
if (motion_eventSP->subwindow != None) return 0;
/* Pixel index: */
pixelI = guiSP->main_win_free_area_width * motion_eventSP->y +
motion_eventSP->x;
/* Check the pixel index: */
if (pixelI >= pixelsN) return -1;
/* Pointer to NearestAtomS structure assigned to this pixel: */
pixelSP = nearest_atomSP + pixelI;
/* Check the refreshI associated with this pixel: */
if (pixelSP->last_refreshI != refreshI) return 0;
/* Check the style index associated with this pixel; */
/* if only plane was drawn to this pixel, there is */
/* no atomic information associated with the pixel: */
if (pixelSP->styleI == PLANE_STYLE) return 0;
/* Refresh the output window: */
XSetForeground (guiSP->displaySP, guiSP->theGCA[0],
guiSP->output_winS.bg_colorID);
XFillRectangle (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
0, 0, guiSP->output_winS.width, guiSP->output_winS.height);
/* Pointer to the current macromolecular complex: */
curr_mol_complexSP = mol_complexSP + pixelSP->mol_complexI;
/* Pointer to the current atom: */
curr_atomSP = curr_mol_complexSP->atomSP + pixelSP->atomI;
/* Pointer to raw atomic data: */
raw_atomSP = &curr_atomSP->raw_atomS;
/* Pointer to the current residue: */
curr_residueSP = curr_mol_complexSP->residueSP + curr_atomSP->residue_arrayI;
/* Prepare the text foreground color: */
XSetForeground (guiSP->displaySP, guiSP->theGCA[0],
guiSP->output_winS.fg_colorID);
/* Text line height: */
text_line_height = guiSP->output_winS.font_height;
/* The initial drawing position: */
screen_x0 = TEXTMARGIN;
screen_y0 = guiSP->output_winS.font_height + 1;
/* Draw the unique PDB identifier: */
sprintf (stringA, "(%d) %s",
curr_mol_complexSP->mol_complexID,
curr_mol_complexSP->unique_PDB_codeA);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
/* Draw residue data: */
screen_y0 += text_line_height;
sprintf (stringA, "%s %d %c",
raw_atomSP->residue_nameA,
raw_atomSP->residue_sequenceI,
raw_atomSP->chainID);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
/* Draw atom name, alternate location indicator, */
/* atom serial number and chemical element symbol: */
screen_y0 += text_line_height;
sprintf (stringA, "%s%c %d %s",
raw_atomSP->pure_atom_nameA,
raw_atomSP->alt_location,
raw_atomSP->serialI,
raw_atomSP->chemical_symbolA);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
/* Temperature factor: */
screen_y0 += text_line_height;
tf = raw_atomSP->temperature_factor;
if (tf < 99.99) sprintf (stringA, "t.f.: %5.2f", tf);
else sprintf (stringA, "t.f. :%.2f", tf);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
/* Hydrophobicity: */
screen_y0 += text_line_height;
sprintf (stringA, "phob:%6.2f", raw_atomSP->hydrophobicity);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
/* Selection status: */
screen_y0 += text_line_height;
if (curr_atomSP->selectedF) strcpy (stringA, "selected");
else strcpy (stringA, "not selected");
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
/* The angle phi (see dihedral_angles.c for definition): */
screen_y0 += text_line_height;
phi = curr_residueSP->phi;
if (phi == BADDIHEDANGLE)
{
strcpy (stringA, "phi: missing");
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
else
{
phi *= RAD_TO_DEG;
sprintf (stringA, "phi: %7.2f", phi);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
/* The angle psi (see dihedral_angles.c for definition): */
screen_y0 += text_line_height;
psi = curr_residueSP->psi;
if (psi == BADDIHEDANGLE)
{
strcpy (stringA, "psi: missing");
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
else
{
psi *= RAD_TO_DEG;
sprintf (stringA, "psi: %7.2f", psi);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
/* The angle omega (see dihedral_angles.c for definition): */
screen_y0 += text_line_height;
omega = curr_residueSP->omega;
if (omega == BADDIHEDANGLE)
{
strcpy (stringA, "ome: missing");
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
else
{
omega *= RAD_TO_DEG;
sprintf (stringA, "ome: %7.2f", omega);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
/* The angle chi1 (see dihedral_angles.c for definition): */
screen_y0 += text_line_height;
chi1 = curr_residueSP->chi1;
if (chi1 == BADDIHEDANGLE)
{
strcpy (stringA, "chi1: -");
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
else
{
chi1 *= RAD_TO_DEG;
sprintf (stringA, "chi1:%7.2f", chi1);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
/* The angle chi2 (see dihedral_angles.c for definition): */
screen_y0 += text_line_height;
chi2 = curr_residueSP->chi2;
if (chi2 == BADDIHEDANGLE)
{
strcpy (stringA, "chi2: -");
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
else
{
chi2 *= RAD_TO_DEG;
sprintf (stringA, "chi2:%7.2f", chi2);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
/* The angle chi3 (see dihedral_angles.c for definition): */
screen_y0 += text_line_height;
chi3 = curr_residueSP->chi3;
if (chi3 == BADDIHEDANGLE)
{
strcpy (stringA, "chi3: -");
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
else
{
chi3 *= RAD_TO_DEG;
sprintf (stringA, "chi3:%7.2f", chi3);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
}
/* x coordinate: */
screen_y0 += text_line_height;
x = raw_atomSP->x[0];
if (x < 9999.999) sprintf (stringA, "x: %8.3f", x);
else sprintf (stringA, "x: %.3f", x);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
/* y coordinate: */
screen_y0 += text_line_height;
y = raw_atomSP->y;
if (y < 9999.999) sprintf (stringA, "y: %8.3f", y);
else sprintf (stringA, "y: %.3f", y);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
/* z coordinate: */
screen_y0 += text_line_height;
z = raw_atomSP->z[0];
if (z < 9999.999) sprintf (stringA, "z: %8.3f", z);
else sprintf (stringA, "z: %.3f", z);
stringA[STRINGSIZE - 1] = '\0';
XDrawString (guiSP->displaySP, guiSP->output_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, strlen (stringA));
/* Write the sequence neighborhood of the */
/* residue under the pointer, if requested: */
if (configSP->show_sequence_neighborhoodF)
{
/* The central residue index: */
central_residueI = curr_atomSP->residue_arrayI;
/* Space half-width: */
space_width = XTextWidth (guiSP->main_winS.fontSP, " ", 1);
space_half_width = space_width / 2;
/* Indices of the first and the last residue in the neighbourhood: */
first_residueI = central_residueI - NEIGH_HALF_WIDTH;
if (first_residueI < 0) first_residueI = 0;
last_residueI = central_residueI + NEIGH_HALF_WIDTH;
if (last_residueI >= (int) curr_mol_complexSP->residuesN)
{
last_residueI = (int) curr_mol_complexSP->residuesN - 1;
}
/* Prepare the string: */
stringA[0] = '\0';
residue_name_length = RESNAMESIZE - 1;
strcat (stringA, " ");
for (residueI = first_residueI; residueI <= last_residueI; residueI++)
{
/* The string width, without the central residue: */
if (residueI == central_residueI)
{
string_length = strlen (stringA);
line_x0 = XTextWidth (guiSP->main_winS.fontSP,
stringA, string_length) - space_half_width;
}
/* Pointer to current residue: */
curr_residueSP = curr_mol_complexSP->residueSP + residueI;
/* Pointer to the first atom of the current residue: */
first_atomSP = curr_mol_complexSP->atomSP +
curr_residueSP->residue_startI;
/* Pointer to residue name: */
residue_nameP = first_atomSP->raw_atomS.pure_residue_nameA;
/* Add the residue name to the output string: */
strncpy (residue_nameA, residue_nameP, residue_name_length);
residue_nameA[residue_name_length] = '\0';
strcat (stringA, residue_nameA);
/* If the output should be verbose, i.e. should contain */
/* residue serial numbers and chain identifiers, add them: */
if (configSP->show_sequence_neighborhoodF == 2)
{
/* If chain identifier is trivial (space character), ignore it: */
if (first_atomSP->raw_atomS.chainID == ' ')
{
sprintf (serial_and_chainA, "%d",
first_atomSP->raw_atomS.residue_sequenceI);
serial_and_chainA[SHORTSTRINGSIZE - 1] = '\0';
}
/* If chain identifier is not trivial, add it: */
else
{
sprintf (serial_and_chainA, "%d%c",
first_atomSP->raw_atomS.residue_sequenceI,
first_atomSP->raw_atomS.chainID);
serial_and_chainA[SHORTSTRINGSIZE - 1] = '\0';
}
/* Append the serial number and chain ID to residue name: */
strcat (stringA, serial_and_chainA);
}
/* Add a single space: */
strcat (stringA, " ");
/* The string width, including the central residue: */
if (residueI == central_residueI)
{
string_length = strlen (stringA);
line_x1 = XTextWidth (guiSP->main_winS.fontSP,
stringA, string_length) - space_half_width;
}
}
/* String length: */
string_length = strlen (stringA);
/* Text width: */
text_width = XTextWidth (guiSP->main_winS.fontSP, stringA, string_length);
/* Prepare text background color: */
XSetForeground (guiSP->displaySP, guiSP->theGCA[0],
guiSP->main_winS.bg_colorID);
/* Refresh the string background: */
screen_x0 = 1;
screen_y0 = 1;
width = guiSP->control_winS.x0 - guiSP->main_winS.border_width - 2;
if (width < 0) width = 0;
height = guiSP->main_winS.font_height + 4;
XFillRectangle (guiSP->displaySP, guiSP->main_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0,
(unsigned int) width, (unsigned int) height);
/* Prepare text color: */
XSetForeground (guiSP->displaySP, guiSP->theGCA[0],
guiSP->main_winS.fg_colorID);
/* Draw the bounding rectangle: */
XDrawRectangle (guiSP->displaySP, guiSP->main_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0,
(unsigned int) width, (unsigned int) height);
/* Draw the string which contains sequence neighborhood: */
screen_x0 = guiSP->control_winS.x0 / 2 - text_width / 2;
screen_y0 = guiSP->main_winS.font_height + 1;
XDrawString (guiSP->displaySP, guiSP->main_winS.ID, guiSP->theGCA[0],
screen_x0, screen_y0, stringA, string_length);
/* Draw rectangle bounding the central residue: */
line_x0 += guiSP->control_winS.x0 / 2 - text_width / 2;
line_x1 += guiSP->control_winS.x0 / 2 - text_width / 2;
width = line_x1 - line_x0 + 1;
if (width < 0) width = 0;
height = guiSP->main_winS.font_height - 1;
if (height < 0) height = 0;
XDrawRectangle (guiSP->displaySP, guiSP->main_winS.ID, guiSP->theGCA[0],
line_x0, 4,
(unsigned int) width, (unsigned int) height);
}
/* Return positive value: */
return 1;
}
/*===========================================================================*/
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