1 /* MInterfaceGeom.c */
2 /**********************************************************************************************************
3 Copyright (c) 2002-2013 Abdul-Rahman Allouche. All rights reserved
4
5 Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated
6 documentation files (the Gabedit), to deal in the Software without restriction, including without limitation
7 the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software,
8 and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
9
10 The above copyright notice and this permission notice shall be included in all copies or substantial portions
11 of the Software.
12
13 THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED
14 TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
15 THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF
16 CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
17 DEALINGS IN THE SOFTWARE.
18 ************************************************************************************************************/
19
20
21 #include "../../Config.h"
22 #include <stdio.h>
23 #include <stdlib.h>
24 #include <string.h>
25 #include <gtk/gtk.h>
26
27 #include "MInterfaceGeom.h"
28 #include "../Common/Global.h"
29 #include "../Geometry/GeomGlobal.h"
30 #include "../Geometry/GeomXYZ.h"
31 #include "../Geometry/GeomZmatrix.h"
32 #include "../Gaussian/GaussGlobal.h"
33 #include "../Utils/UtilsInterface.h"
34 #include "../Geometry/InterfaceGeom.h"
35
36 /************************************************************************************************************/
AjoutePageGeom(GtkWidget * NoteBook,GeomS * geom)37 void AjoutePageGeom(GtkWidget *NoteBook,GeomS *geom)
38 {
39 GtkWidget *hbox;
40 GtkWidget *FrameType;
41 GtkWidget *Frame;
42 GtkWidget *LabelOnglet;
43 GtkWidget *LabelMenu;
44 GtkWidget *BoiteV;
45 GtkWidget *window1;
46 GtkWidget *vbox1;
47 GtkWidget *hbox1;
48 GtkWidget *label2;
49 GtkWidget *label3;
50 GtkWidget *hseparator2;
51 GtkWidget *combo2;
52 GtkWidget *combo_entry2;
53 GtkWidget *combo3;
54 GtkWidget *combo_entry3;
55 GtkWidget *combobox;
56 GList *combo2_items = NULL;
57 GList *combo3_items = NULL;
58
59
60 geom_is_open();
61 geominter=g_malloc(sizeof(GeomInter));
62 geominter->window= gtk_frame_new(NULL);
63 HboxGeom = NULL;
64
65
66 Frame =geominter->window;
67 gtk_container_set_border_width(GTK_CONTAINER(Frame), 10);
68
69
70
71 LabelOnglet = gtk_label_new(_("Geometry"));
72 LabelMenu = gtk_label_new(_("Geometry"));
73 gtk_notebook_append_page_menu(GTK_NOTEBOOK(NoteBook),
74 Frame,
75 LabelOnglet, LabelMenu);
76
77 BoiteV = gtk_vbox_new(FALSE, 0);
78 gtk_container_add(GTK_CONTAINER(Frame), BoiteV);
79
80 window1=Frame;
81 vbox1 = BoiteV;
82 hbox1 = gtk_hbox_new (FALSE, 0);
83 gtk_widget_show (hbox1);
84 gtk_box_pack_start (GTK_BOX (vbox1), hbox1, FALSE, FALSE, 0);
85
86
87 label2 = gtk_label_new (_(" Symmetry : "));
88 gtk_widget_show (label2);
89 gtk_box_pack_start (GTK_BOX (hbox1), label2, FALSE, FALSE, 0);
90
91 combo2 = gtk_combo_box_entry_new_text ();
92 gtk_widget_set_size_request(GTK_WIDGET(combo2),100,-1);
93 gtk_widget_show (combo2);
94 gtk_box_pack_start (GTK_BOX (hbox1), combo2, FALSE, FALSE, 0);
95 combo2_items = g_list_append (combo2_items, _("default"));
96 combo2_items = g_list_append (combo2_items, "NOSYM");
97 combo2_items = g_list_append (combo2_items, "Z");
98 combo2_items = g_list_append (combo2_items, "XY");
99 combo2_items = g_list_append (combo2_items, "XYZ");
100 combo2_items = g_list_append (combo2_items, "X,Y");
101 combo2_items = g_list_append (combo2_items, "XY,Z");
102 combo2_items = g_list_append (combo2_items, "XZ,YZ");
103 combo2_items = g_list_append (combo2_items, "X,Y,Z");
104 gtk_combo_box_entry_set_popdown_strings ( (combo2), combo2_items);
105 g_list_free (combo2_items);
106
107 combo_entry2 = GTK_BIN (combo2)->child;
108 gtk_widget_show (combo_entry2);
109
110
111 label3 = gtk_label_new (_(" Options : "));
112 gtk_widget_show (label3);
113 gtk_box_pack_start (GTK_BOX (hbox1), label3, FALSE, FALSE, 0);
114
115 combo3 = gtk_combo_box_entry_new_text ();
116 gtk_widget_set_size_request(GTK_WIDGET(combo3),100,-1);
117 gtk_widget_show (combo3);
118 gtk_box_pack_start (GTK_BOX (hbox1), combo3, FALSE, FALSE, 0);
119 combo3_items = g_list_append (combo3_items, _("none"));
120 combo3_items = g_list_append (combo3_items, "MASS");
121 combo3_items = g_list_append (combo3_items, "CHARGE");
122 combo3_items = g_list_append (combo3_items, "NOORIENT");
123 combo3_items = g_list_append (combo3_items, "PLANEXZ");
124 combo3_items = g_list_append (combo3_items, "PLANEYZ");
125 combo3_items = g_list_append (combo3_items, "PLANEXY");
126 gtk_combo_box_entry_set_popdown_strings ( (combo3), combo3_items);
127 g_list_free (combo3_items);
128
129 combo_entry3 = GTK_BIN (combo3)->child;
130 gtk_widget_show (combo_entry3);
131
132 hseparator2 = gtk_hseparator_new ();
133 gtk_widget_show (hseparator2);
134 gtk_box_pack_start (GTK_BOX (BoiteV), hseparator2, FALSE, FALSE, 0);
135
136 hbox =create_hbox_false(BoiteV);
137 FrameType = create_frame(window1,hbox,_("TYPE"));
138
139 combobox = create_geom(window1,FrameType);
140
141 geominter->vbox=BoiteV;
142 geominter->frametitle=g_strdup(_("GEOMETRY"));
143
144 geom->Symentry=combo_entry2;
145 geom->Optentry=combo_entry3;
146
147 if(GeomXYZ != NULL && MethodeGeom == GEOM_IS_XYZ)
148 create_geomXYZ_interface (GABEDIT_TYPEFILEGEOM_UNKNOWN);
149 if(Geom != NULL && MethodeGeom == GEOM_IS_ZMAT)
150 create_geom_interface (GABEDIT_TYPEFILEGEOM_UNKNOWN);
151 gtk_combo_box_set_active (GTK_COMBO_BOX (combobox), 0);
152 }
153
154