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Committer: Bazaar Package Importer
Author(s): zhaoway
Date: 2001-04-24 07:09:13 UTC
Revision ID: james.westby@ubuntu.com-20010424070913-uzpupnwdfhmliebz

Tags: upstream-1.1

Import upstream version 1.1

files added:

.garlicrc

1mal.script

2fcp.script

2omf.script

2por.script

BUGS

COPYING

ENVIRONMENT

HISTORY

INSTALL

Makefile

README

TODO

absolute_value.c

add_bond.c

add_char.c

add_three_colors.c

add_two_colors.c

align_complexes.c

align_normal.c

alloc_config.c

alloc_gui.c

alloc_mol_complex.c

alloc_nearest.c

anchor.xpm

angle.c

apply_selection.c

assign_hyphob.c

assign_radii.c

atom_names.c

atoms.c

atoms.script

atoms_style1.c

atoms_style2.c

atoms_style3.c

atoms_style4.c

atoms_style5.c

atoms_style6.c

atoms_style7.c

backbone.c

background.c

balls.c

balls2.c

big2.c

big_spheres.c

bond_style1_quad1.c

bond_style1_quad2.c

bond_style1_quad3.c

bond_style1_quad4.c

bond_style2_quad1.c

bond_style2_quad2.c

bond_style2_quad3.c

bond_style2_quad4.c

bond_style3_quad1.c

bond_style3_quad2.c

bond_style3_quad3.c

bond_style3_quad4.c

bond_style4_quad1.c

bond_style4_quad2.c

bond_style4_quad3.c

bond_style4_quad4.c

bond_style5_quad1.c

bond_style5_quad2.c

bond_style5_quad3.c

bond_style5_quad4.c

bonds.c

bonds.script

bonds_style1.c

bonds_style2.c

bonds_style3.c

bonds_style4.c

bonds_style5.c

button_press.c

calc_params.c

calculate_phi.c

calculate_psi.c

catch.c

center.c

chain.c

chains.c

change_fading.c

change_slab.c

check_con.c

check_dist.c

cis_trans.c

color.c

color_hyphob.c

color_model.c

color_schemes.c

color_shifts.c

colors.script

colors2.script

comm_backbone.c

comm_fading.c

comm_move.c

comm_rotate.c

comm_slab.c

comm_translate.c

commands.h

compare.c

compare_sequences.c

comparison_mouse.c

control.xpm

control_click.c

control_refresh.c

copy_doubles.c

copy_sequence.c

copypur.c

count_nc_bonds.c

count_residues.c

cpk.c

create_log_file.c

create_windows.c

cylin_fading.c

cylin_slab.c

dance.script

defines.h

dihedral_angles.c

discard.c

disp_color_cap.c

display_init.c

disulfide_bonds.c

dock.c

docking.xpm

docking_project.c

docking_refresh.c

docking_resize.c

docking_window.c

draw_bottom.c

draw_comparison.c

draw_labels.c

draw_planes.c

draw_plots.c

draw_ramachandran.c

draw_system.c

draw_tags.c

draw_titles.c

draw_top.c

draw_venn.c

draw_wheel.c

eat_left_char.c

eat_right_char.c

errmsg.c

event_loop.c

ex2doubles.c

ex2ints.c

ex_fading_steps.c

ex_rot_steps.c

ex_slab_steps.c

ex_trans_steps.c

exclude.c

exclude_distant.c

execute_command1.c

execute_command2.c

execute_script.c

extent.c

extract_args.c

extract_double.c

extract_field.c

extract_index.c

extract_int.c

extract_ncaco.c

extract_phrase.c

extract_sequence.c

extract_serials.c

extract_token.c

fading.c

fading_shift.c

fileformat.c

flipvector.c

font.c

foreground.c

free_memory.c

free_runtime.c

full_colors.c

full_select.c

garlic.c

garlic.xpm

gen_hybonds.c

gen_plane.c

geo.script

geomcenter.c

half_cylin_fading.c

half_cylin_slab.c

half_sphere_fading.c

half_sphere_slab.c

headerline.c

hide.c

hide_backbone.c

hide_control.c

hide_no_refresh.c

hybond_style.c

hybonds.c

hydrophobicity.c

identify_button.c

include.c

init_buttons.c

init_colors.c

init_fading.c

init_header.c

init_hyphob.c

init_nearest.c

init_runtime.c

init_slab.c

input_refresh.c

insert

interpolate_color.c

is_old.c

is_pdb.c

is_polar.c

key_press.c

key_release.c

labels.c

list_exposed_polar.c

load.c

load_complex.c

load_font.c

load_sequence.c

log.c

main_refresh.c

main_resize.c

make_pixmap.c

masks.txt

mix_colors.c

mono.c

motion_notify.c

move_back_fading.c

move_back_slab.c

move_front_fading.c

move_front_slab.c

neighborhood.c

no_fading.c

no_slab.c

open_cfg_file.c

openfile_r.c

parse_color.c

parse_options.c

parse_sequence.c

pattern.c

pdb_atom.c

pdb_id.c

phe.pdb

pixel_from_rgbs.c

planar_fading.c

planar_slab.c

plane.c

plane_extent.c

plot.c

plot_mouse.c

position.c

prepare_backbone.c

prepare_color.c

prepare_cursor.c

prepare_oc.c

print_config.c

print_cursor_names.c

print_help.c

print_usage.c

print_version.c

project_atoms.c

project_planes.c

purge

quick_select.c

radius.c

rainbow.script

rama_frame.c

rama_mouse.c

ramachandran.c

read_config.c

read_fasta.c

read_file.c

read_pdb.c

realloc_pdb.c

refresh_pixmap.c

replace_command.c

representative_atoms.c

reset_pos_flag.c

residue_names.c

residue_ranges.c

rgbs_from_xcolor.c

rotate.c

rotate_plane.c

rotation_angle.c

sample.fasta

sample.script

save.c

save_seq_w_numbers.c

save_sequence.c

scalar_product.c

scale.c

select.c

select_above.c

select_alternate.c

select_below.c

select_cis_trans.c

select_complement.c

select_events.c

select_hetero.c

select_model.c

select_sequence.c

select_sphere.c

select_to_stdout.c

sequence.c

sequence_from.c

show.c

show_backbone.c

show_no_refresh.c

single_bond.pdb

size_hints.c

skip_keyword.c

slab.c

slab_shift.c

sp2.c

sp2_color.c

spacefill.c

spacefill_color.c

special_select.c

sphere_fading.c

sphere_slab.c

ssb.c

stereo.c

stereo_data.c

strong_bonds.c

system.xpm

tag.c

tag_position.c

text_background.c

text_foreground.c

title.c

translate.c

translate_complex.c

translate_plane.c

translation_shift.c

trp.pdb

truncate_comm.c

typedefs.h

vector_product.c

venn.c

warnmsg.c

weight_colors.c

wheel.c

window.c

wmhints.c

words

write_hints.c

write_line.c

zebra.c

Show diffs side-by-side

added added

removed removed

comm_rotate.c

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

comm_rotate.c

Purpose:

Execute rotate command. Rotate all caught macromolecular complexes

for a given angle around a given axis.

Input:

(1) Pointer to MolComplexS structure, with macromol. complexes.

(2) The 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) String which contains the rotation axis name and the rotation

angle.

Output:

(1) The hiddenF set for each atom in each caught complex.

(2) Return value.

Return value:

(1) Positive (command) code on success.

(2) Negative (error) code on failure.

========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 "commands.h"

#include "typedefs.h"

/*======function prototypes:=================================================*/

char *ExtractToken_ (char *, int, char *, char *);

void Rotate_ (MolComplexS *, int, ConfigS *, double, int);

size_t MainRefresh_ (MolComplexS *, int,

RuntimeS *, ConfigS *, GUIS *,

NearestAtomS *, size_t, unsigned int);

int ControlRefresh_ (MolComplexS *, ConfigS *, GUIS *);

int DockingRefresh_ (RuntimeS *, GUIS *);

/*======execute rotate command:==============================================*/

int CommandRotate_ (MolComplexS *mol_complexSP, int mol_complexesN,

RuntimeS *runtimeSP, ConfigS *configSP, GUIS *guiSP,

NearestAtomS *nearest_atomSP, size_t pixelsN,

unsigned int *refreshIP, char *stringP)

{

char *remainderP;

char tokenA[STRINGSIZE];

int axisID;

double rotation_angle;

/* Extract axis name: */

remainderP = ExtractToken_ (tokenA, STRINGSIZE, stringP, " \t\n");

if (!remainderP)

{

strcpy (runtimeSP->messageA, "Axis specification missing!");

runtimeSP->message_length = strlen (runtimeSP->messageA);

return ERROR_NO_AXIS;

}

/* Identify the axis: */

if (strcmp (tokenA, "X") == 0) axisID = 1;

else if (strcmp (tokenA, "Y") == 0) axisID = 2;

else if (strcmp (tokenA, "Z") == 0) axisID = 3;

else

{

strcpy (runtimeSP->messageA,

"Bad axis (only x, y and z are available)!");

runtimeSP->message_length = strlen (runtimeSP->messageA);

return ERROR_BAD_AXIS;

}

/* Extract the token which contains the rotation angle: */

remainderP = ExtractToken_ (tokenA, STRINGSIZE, remainderP, " \t\n");

if (!remainderP)

{

strcpy (runtimeSP->messageA, "Rotation angle missing!");

runtimeSP->message_length = strlen (runtimeSP->messageA);

return ERROR_NO_ANGLE;

}

/* Extract the rotation angle: */

if (sscanf (tokenA, "%lf", &rotation_angle) != 1)

100

{

101

strcpy (runtimeSP->messageA, "Rotation angle specification is bad!");

102

runtimeSP->message_length = strlen (runtimeSP->messageA);

103

return ERROR_NO_ANGLE;

104

}

105

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/* Convert degrees to radians: */

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rotation_angle *= DEG_TO_RAD;

108

109

/* Rotate all caught macromolecular complexes: */

110

Rotate_ (mol_complexSP, mol_complexesN, configSP, rotation_angle, axisID);

111

112

/* Refresh the main window: */

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(*refreshIP)++;

114

MainRefresh_ (mol_complexSP, mol_complexesN, runtimeSP, configSP, guiSP,

115

nearest_atomSP, pixelsN, *refreshIP);

116

117

/* Refresh the control window: */

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ControlRefresh_ (mol_complexSP + runtimeSP->default_complexI, configSP, guiSP);

119

120

/* Refresh docking window, if docking is switched on: */

121

if (guiSP->dockingF) DockingRefresh_ (runtimeSP, guiSP);

122

123

/* Return positive value on success: */

124

return COMMAND_ROTATE;

125

}

126

127

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

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