https://wiki.uni-due.de/jack/index.php?action=history&feed=atom&title=MirrorMolecule
MirrorMolecule - Versionsgeschichte
2026-05-17T03:41:45Z
Versionsgeschichte dieser Seite in JACK Wiki
MediaWiki 1.39.10
https://wiki.uni-due.de/jack/index.php?title=MirrorMolecule&diff=10947&oldid=prev
SHergenroeder am 22. Mai 2024 um 08:49 Uhr
2024-05-22T08:49:53Z
<p></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
<col class="diff-content" />
<col class="diff-marker" />
<col class="diff-content" />
<tr class="diff-title" lang="de">
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Nächstältere Version</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 22. Mai 2024, 10:49 Uhr</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l3">Zeile 3:</td>
<td colspan="2" class="diff-lineno">Zeile 3:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>===Beschreibung===</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>===Beschreibung===</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Die Funktion "mirrorMolecule" manipuliert für jeden InChI der Liste das zugehörige Molekül.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Die Funktion "mirrorMolecule" manipuliert für jeden InChI der Liste das zugehörige Molekül.</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>Dabei wird das Molekül gespiegelt.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Dabei wird das Molekül gespiegelt<ins style="font-weight: bold; text-decoration: none;">. InChIs, welche nicht spiegelbar sind, werden unverändert zurückgegeben</ins>.</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Die InChIs aller möglichen manipulierten Moleküle werden als Liste zurückgeliefert.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Die InChIs aller möglichen manipulierten Moleküle werden als Liste zurückgeliefert.</div></td></tr>
<tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l18">Zeile 18:</td>
<td colspan="2" class="diff-lineno">Zeile 18:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>===Beispiele===</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>===Beispiele===</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>mirrorMolecule("InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1") => "InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1", m1 wird zu m0</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"><code></ins>mirrorMolecule("InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1")<ins style="font-weight: bold; text-decoration: none;"></code> </ins>=> "InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1", m1 wird zu m0</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>mirrorMolecule("InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1") => "InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1", m0 wird zu m1</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"><code></ins>mirrorMolecule("InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1")<ins style="font-weight: bold; text-decoration: none;"></code> </ins>=> "InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1", m0 wird zu m1</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>mirrorMolecule("InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m0/s1") => "InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m1/s1", m0 wird zu m1</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"><code></ins>mirrorMolecule("InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m0/s1")<ins style="font-weight: bold; text-decoration: none;"></code> </ins>=> "InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m1/s1", m0 wird zu m1</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>===Hinweise===</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>===Hinweise===</div></td></tr>
</table>
SHergenroeder
https://wiki.uni-due.de/jack/index.php?title=MirrorMolecule&diff=10794&oldid=prev
SHergenroeder: /* Beispiele */
2024-04-25T07:53:28Z
<p><span dir="auto"><span class="autocomment">Beispiele</span></span></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
<col class="diff-content" />
<col class="diff-marker" />
<col class="diff-content" />
<tr class="diff-title" lang="de">
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Nächstältere Version</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Version vom 25. April 2024, 09:53 Uhr</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l19">Zeile 19:</td>
<td colspan="2" class="diff-lineno">Zeile 19:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>===Beispiele===</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>===Beispiele===</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>mirrorMolecule("InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1") => "InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1", m1 wird zu m0</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>mirrorMolecule("InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1") => "InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1", m1 wird zu m0</div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>mirrorMolecule("InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1") => "InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1", m0 wird zu m1</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>mirrorMolecule("InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1") => "InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1", m0 wird zu m1</div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>mirrorMolecule("InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m0/s1") => "InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m1/s1", m0 wird zu m1</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>mirrorMolecule("InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m0/s1") => "InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m1/s1", m0 wird zu m1</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
</table>
SHergenroeder
https://wiki.uni-due.de/jack/index.php?title=MirrorMolecule&diff=10793&oldid=prev
SHergenroeder: Die Seite wurde neu angelegt: „==Zugehörige Evaluatoren== *'''ChemEvaluator''' ===Beschreibung=== Die Funktion "mirrorMolecule" manipuliert für jeden InChI der Liste das zugehörige Molekül. Dabei wird das Molekül gespiegelt. Die InChIs aller möglichen manipulierten Moleküle werden als Liste zurückgeliefert. ===Syntax=== mirrorMolecule(List<String> inchis) ===Parameter=== * '''inchis''' - Eine Liste von InChI-Strings jeweils '''im Format InChI=...''' ===Return Value=== * G…“
2024-04-25T07:52:37Z
<p>Die Seite wurde neu angelegt: „==Zugehörige Evaluatoren== *'''ChemEvaluator''' ===Beschreibung=== Die Funktion "mirrorMolecule" manipuliert für jeden InChI der Liste das zugehörige Molekül. Dabei wird das Molekül gespiegelt. Die InChIs aller möglichen manipulierten Moleküle werden als Liste zurückgeliefert. ===Syntax=== mirrorMolecule(List<String> inchis) ===Parameter=== * '''inchis''' - Eine Liste von InChI-Strings jeweils '''im Format InChI=...''' ===Return Value=== * G…“</p>
<p><b>Neue Seite</b></p><div>==Zugehörige Evaluatoren==<br />
*'''ChemEvaluator'''<br />
===Beschreibung===<br />
Die Funktion "mirrorMolecule" manipuliert für jeden InChI der Liste das zugehörige Molekül.<br />
Dabei wird das Molekül gespiegelt.<br />
<br />
Die InChIs aller möglichen manipulierten Moleküle werden als Liste zurückgeliefert.<br />
<br />
===Syntax===<br />
mirrorMolecule(List<String> inchis)<br />
<br />
===Parameter===<br />
* '''inchis''' - Eine Liste von InChI-Strings jeweils '''im Format InChI=...'''<br />
<br />
<br />
===Return Value===<br />
* Gibt eine Liste von manipulierten InChIs zurück. Diese Liste enthält keine Duplikate.<br />
<br />
===Beispiele===<br />
mirrorMolecule("InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1") => "InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1", m1 wird zu m0<br />
mirrorMolecule("InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1") => "InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1", m0 wird zu m1<br />
mirrorMolecule("InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m0/s1") => "InChI=1S/CHBrClF/c2-1(3)4/h1H/t1-/m1/s1", m0 wird zu m1<br />
<br />
===Hinweise===<br />
Der InChI '''muss''' im Format <code>InChI=...</code> angegeben werden.<br />
<br />
[[Kategorie:Chem-Evaluatorfunktion]]</div>
SHergenroeder