-
Notifications
You must be signed in to change notification settings - Fork 191
/
autoload.js
206 lines (183 loc) · 8.73 KB
/
autoload.js
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
//auto-initialization
//Create embedded viewer from HTML attributes if true
//viewer and callback are used by the testing harness
$3Dmol.autoload=function(viewer,callback){
if ($(".viewer_3Dmoljs")[0] !== undefined)
$3Dmol.autoinit = true;
if ($3Dmol.autoinit) {
viewer =(viewer!= undefined) ? viewer :null;
$3Dmol.viewers = {};
var nviewers = 0;
$(".viewer_3Dmoljs").each( function() {
var viewerdiv = $(this);
var datauri = [];
var datatypes = []
if(viewerdiv.css('position') == 'static') {
//slight hack - canvas needs this element to be positioned
viewerdiv.css('position','relative');
}
var type = null;
if (viewerdiv.data("pdb")) {
datauri.push("https://files.rcsb.org/view/" + viewerdiv.data("pdb") + ".pdb");
datatypes.push("pdb");
} else if(viewerdiv.data("cid")) {
//this doesn't actually work since pubchem does have CORS enabled
datatypes.push("sdf");
datauri.push("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/" + viewerdiv.data("cid") +
"/SDF?record_type=3d");
}
else if (viewerdiv.data("href") || viewerdiv.data("url")){
var uri = viewerdiv.data("href");
datauri.push(uri);
var type = uri.substr(uri.lastIndexOf('.')+1);
datatypes.push(type);
}
var divdata=viewerdiv.data();
for(var i in divdata){
if((i.substring(0,3) ==="pdb" && !(i === "pdb"))){
datauri.push("https://files.rcsb.org/view/" +divdata[i]+".pdb")
datatypes.push('pdb');
}else if(i.substring(0,4) ==="href" && !(i==="href")){
var uri = divdata[i];
datauri.push(uri);
datatypes.push(uri.substr(uri.lastIndexOf('.')+1));
}else if(i.substring(0,3)==="cid" && !(i==="cid")){
datauri.push("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/" + divdata[i] + "/SDF?record_type=3d");
datatypes.push('sdf');
}
}
var options = {}
if(viewerdiv.data("options"))
options = $3Dmol.specStringToObject(viewerdiv.data("options"));
var bgcolor = $3Dmol.CC.color(viewerdiv.data("backgroundcolor"));
var style = {line:{}};
if(viewerdiv.data("style")) style = $3Dmol.specStringToObject(viewerdiv.data("style"));
var select = {};
if(viewerdiv.data("select")) select = $3Dmol.specStringToObject(viewerdiv.data("select"));
var selectstylelist = [];
var surfaces = [];
var labels = [];
var d = viewerdiv.data();
//let users specify individual but matching select/style tags, eg.
//data-select1 data-style1
var stylere = /style(.+)/;
var surfre = /surface(.*)/;
var reslabre = /labelres(.*)/;
var keys = [];
for(var dataname in d) {
if(d.hasOwnProperty(dataname)) {
keys.push(dataname);
}
}
keys.sort();
for(var i = 0; i < keys.length; i++) {
var dataname = keys[i];
var m = stylere.exec(dataname);
if(m) {
var selname = "select"+m[1];
var newsel = $3Dmol.specStringToObject(d[selname]);
var styleobj = $3Dmol.specStringToObject(d[dataname]);
selectstylelist.push([newsel,styleobj]);
}
m = surfre.exec(dataname);
if(m) {
var selname = "select"+m[1];
var newsel = $3Dmol.specStringToObject(d[selname]);
var styleobj = $3Dmol.specStringToObject(d[dataname]);
surfaces.push([newsel,styleobj]);
}
m = reslabre.exec(dataname);
if(m) {
var selname = "select"+m[1];
var newsel = $3Dmol.specStringToObject(d[selname]);
var styleobj = $3Dmol.specStringToObject(d[dataname]);
labels.push([newsel,styleobj]);
}
}
//apply all the selections/styles parsed out above to the passed viewer
var applyStyles = function(glviewer) {
glviewer.setStyle(select,style);
for(var i = 0; i < selectstylelist.length; i++) {
var sel = selectstylelist[i][0] || {};
var sty = selectstylelist[i][1] || {"line":{}}
glviewer.setStyle(sel, sty);
}
for(var i = 0; i < surfaces.length; i++) {
var sel = surfaces[i][0] || {};
var sty = surfaces[i][1] || {}
glviewer.addSurface($3Dmol.SurfaceType.VDW, sty, sel, sel);
}
for(var i = 0; i < labels.length; i++) {
var sel = labels[i][0] || {};
var sty = labels[i][1] || {}
glviewer.addResLabels(sel, sty);
}
glviewer.zoomTo();
glviewer.render();
}
var glviewer = viewer;
try {
if(glviewer==null)
glviewer = $3Dmol.viewers[this.id || nviewers++] = $3Dmol.createViewer(viewerdiv, {defaultcolors: $3Dmol.rasmolElementColors});
glviewer.setBackgroundColor(bgcolor);
} catch ( error ) {
console.log(error);
//for autoload, provide a useful error message
window.location = "http://get.webgl.org";
}
if (datauri.length!=0) {
//load multiple data elements in serial
var i = 0;
var process = function(moldata) {
//add moldata to viewer and load next model
uri = datauri[i]; //this is where the moldata came from
var type = viewerdiv.data("type") || viewerdiv.data("datatype") || datatypes[i];
glviewer.addModel(moldata, type, options);
i += 1;
if(i < datauri.length) {
$.get(datauri[i], process, 'text');
}
else {
// or finalize if this is the last model
applyStyles(glviewer);
if(viewerdiv.data("callback")) {
//evaluate javascript in the string, if it resolves to a function,
//call it with the viewer
var runres = eval(viewerdiv.data("callback"));
if(typeof(runres) == 'function') {
runres(glviewer);
}
}
if(callback) callback(glviewer);
}
}
$.get(datauri[0], process, 'text');
}
else {
if (viewerdiv.data("element")) {
var moldata = $("#" + viewerdiv.data("element")).val() || "";
var type = viewerdiv.data("type") || viewerdiv.data("datatype");
if (!type){
console.log("Warning: No type specified for embedded viewer with moldata from " + viewerdiv.data("element") +
"\n assuming type 'pdb'")
type = 'pdb';
}
glviewer.addModel(moldata, type, options);
}
applyStyles(glviewer);
if(viewerdiv.data("callback")) {
//evaluate javascript in the string, if it resolves to a function,
//call it with the viewer
var runres = eval(viewerdiv.data("callback"));
if(typeof(runres) == 'function') {
runres(glviewer);
}
}
if (callback)
callback(glviewer);
}
});
}}
$(document).ready(function() {
$3Dmol.autoload();
});