Skip to content

Commit 658fbd1

Browse files
JanCBrammerJanCBrammer
committed
Refactor templates to components
1 parent f680af7 commit 658fbd1

File tree

9 files changed

+425
-465
lines changed

9 files changed

+425
-465
lines changed

‎pages/components/106-options.html‎

Lines changed: 18 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,18 @@
1+
<div class="form-check">
2+
<input
3+
data-id="KET"
4+
class="form-check-input"
5+
type="checkbox"
6+
data-inchi-option-on="KET"
7+
/>
8+
<label class="form-check-label">Keto-enol Tautomerism</label>
9+
</div>
10+
<div class="form-check">
11+
<input
12+
data-id="15T"
13+
class="form-check-input"
14+
type="checkbox"
15+
data-inchi-option-on="15T"
16+
/>
17+
<label class="form-check-label">1,5-tautomerism</label>
18+
</div>

‎pages/components/107-moin-options.html‎

Lines changed: 30 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,30 @@
1+
<div class="form-check">
2+
<input
3+
data-id="MolecularInorganics"
4+
class="form-check-input"
5+
type="checkbox"
6+
data-inchi-option-on="MolecularInorganics"
7+
data-default-checked
8+
checked
9+
/>
10+
<label class="form-check-label"
11+
>Molecular inorganics
12+
<i
13+
class="bi bi-exclamation-circle-fill colored-icon"
14+
data-bs-toggle="tooltip"
15+
data-bs-custom-class="custom-tooltip"
16+
data-bs-html="true"
17+
data-bs-title="
18+
The functionality for molecular incorganics is a work in progress. You can expect to encounter warnings.
19+
</br>
20+
</br>
21+
For an improved experience when working with inorganic structures, consider the following tips:
22+
<ul>
23+
<li>Input crystal structures as molfiles. Convert the CIF to a molfile, e.g., using Mercury (CCDC), or codcif2sdf (cod-tools).</li>
24+
<li>In the structure editor, for donor atoms beyond nitrogen please change the 'valence' (i.e., coordination number) of the atoms accordingly by right-clicking on the corresponding atoms.</li>
25+
</ul>
26+
"
27+
>
28+
</i>
29+
</label>
30+
</div>

‎pages/components/base-options.html‎

Lines changed: 188 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,188 @@
1+
<div class="form-check">
2+
<input
3+
data-id="mobileH"
4+
class="form-check-input"
5+
type="checkbox"
6+
data-inchi-option-off="FixedH"
7+
data-default-checked
8+
checked
9+
/>
10+
<label class="form-check-label">Mobile H Perception</label>
11+
</div>
12+
<div class="row row-cols-auto">
13+
<div class="col">
14+
<div class="form-check">
15+
<input
16+
data-id="includeStereo"
17+
class="form-check-input"
18+
type="checkbox"
19+
data-inchi-option-off="SNon"
20+
data-default-checked
21+
checked
22+
/>
23+
<label class="form-check-label">Include Stereo:</label>
24+
</div>
25+
</div>
26+
<div class="col">
27+
<div class="form-check ms-xl-0 ms-lg-4">
28+
<input
29+
data-id="SAbs"
30+
class="form-check-input"
31+
type="radio"
32+
name="stereoRadio"
33+
data-inchi-stereo-option
34+
data-default-checked
35+
checked
36+
/>
37+
<label class="form-check-label">Absolute</label>
38+
</div>
39+
<div class="form-check ms-xl-0 ms-lg-4">
40+
<input
41+
data-id="SRel"
42+
class="form-check-input"
43+
type="radio"
44+
name="stereoRadio"
45+
data-inchi-option-on="SRel"
46+
data-inchi-stereo-option
47+
/>
48+
<label class="form-check-label">Relative</label>
49+
</div>
50+
<div class="form-check ms-xl-0 ms-lg-4">
51+
<input
52+
data-id="SRac"
53+
class="form-check-input"
54+
type="radio"
55+
name="stereoRadio"
56+
data-inchi-option-on="SRac"
57+
data-inchi-stereo-option
58+
/>
59+
<label class="form-check-label">Racemic</label>
60+
</div>
61+
<div class="form-check ms-xl-0 ms-lg-4">
62+
<input
63+
data-id="SUCF"
64+
class="form-check-input"
65+
type="radio"
66+
name="stereoRadio"
67+
data-inchi-option-on="SUCF"
68+
data-inchi-stereo-option
69+
/>
70+
<label class="form-check-label">From chiral flag</label>
71+
</div>
72+
</div>
73+
</div>
74+
<div class="form-check ms-4">
75+
<input
76+
data-id="SUU"
77+
class="form-check-input"
78+
type="checkbox"
79+
data-inchi-option-on="SUU"
80+
data-inchi-stereo-option
81+
/>
82+
<label class="form-check-label"
83+
>Always include omitted/undefined stereo</label
84+
>
85+
</div>
86+
<div class="form-check ms-4">
87+
<input
88+
data-id="SLUUD"
89+
class="form-check-input"
90+
type="checkbox"
91+
data-inchi-option-on="SLUUD"
92+
data-inchi-stereo-option
93+
/>
94+
<label class="form-check-label"
95+
>Different marks for unknown/undefined stereo</label
96+
>
97+
</div>
98+
<div class="form-check ms-4">
99+
<input
100+
data-id="NEWPSOFF"
101+
class="form-check-input"
102+
type="checkbox"
103+
data-inchi-option-on="NEWPSOFF"
104+
data-inchi-stereo-option
105+
/>
106+
<label class="form-check-label"
107+
>Both ends of wedge point to stereocenters</label
108+
>
109+
</div>
110+
<div class="form-check">
111+
<input
112+
data-id="RecMet"
113+
class="form-check-input"
114+
type="checkbox"
115+
data-inchi-option-on="RecMet"
116+
/>
117+
<label class="form-check-label">Include Bonds to Metal</label>
118+
</div>
119+
<div class="form-check">
120+
<input
121+
data-id="treatPolymers"
122+
class="form-check-input"
123+
type="checkbox"
124+
data-inchi-option-on="Polymers"
125+
/>
126+
<label class="form-check-label">Treat polymers:</label>
127+
</div>
128+
<div class="form-check ms-4">
129+
<input
130+
data-id="NoEdits"
131+
class="form-check-input"
132+
type="checkbox"
133+
data-inchi-option-on="NoEdits"
134+
data-inchi-polymer-option
135+
data-default-disabled
136+
disabled
137+
/>
138+
<label class="form-check-label"
139+
>No pre-edits of original polymer structure</label
140+
>
141+
</div>
142+
<div class="form-check ms-4">
143+
<input
144+
data-id="FoldCRU"
145+
class="form-check-input"
146+
type="checkbox"
147+
data-inchi-option-on="FoldCRU"
148+
data-inchi-polymer-option
149+
data-default-disabled
150+
disabled
151+
/>
152+
<label class="form-check-label">Enable CRU folding</label>
153+
</div>
154+
<div class="form-check ms-4">
155+
<input
156+
data-id="NoFrameShift"
157+
class="form-check-input"
158+
type="checkbox"
159+
data-inchi-option-on="NoFrameShift"
160+
data-inchi-polymer-option
161+
data-default-disabled
162+
disabled
163+
/>
164+
<label class="form-check-label">Disable CRU frame shift</label>
165+
</div>
166+
<div class="form-check">
167+
<input
168+
data-id="NPZz"
169+
class="form-check-input"
170+
type="checkbox"
171+
data-inchi-option-on="NPZz"
172+
/>
173+
<label class="form-check-label"
174+
>Allow non-polymer Zz pseudoatoms
175+
<i
176+
class="bi bi-question-circle-fill colored-icon"
177+
data-bs-toggle="tooltip"
178+
data-bs-custom-class="custom-tooltip"
179+
data-bs-html="true"
180+
data-bs-title='The "Zz" or "*" ("star") pseudoatom is a generic placeholder designating an entity of undefined/unknown/variable nature. It is typically used for handling polymers, but may also be used outside the polymer context with this InChI option (<i>NPZz</i>). See the InChI Technical Manual, section IV. "g. Zz (star, pseudo element) atoms", for details.<br /><br />How to draw?<br />"*" pseudoatoms can be selected within the Ketcher structure editor either via the <i>Extended Table</i> in the right toolbar or using the hotkey "*".'
181+
></i
182+
></label>
183+
</div>
184+
<div class="mt-2">
185+
<a style="text-decoration: none" role="button" data-reset-inchi-options
186+
><i class="bi bi-arrow-clockwise pe-2"></i>Reset InChI Options</a
187+
>
188+
</div>

0 commit comments

Comments
 (0)