valence errors don't update when charge changed by keyboard

User 870ab5b546

29-11-2014 20:06:30

Draw this structure in Marvin 14.11.10.0:


<?xml version="1.0" encoding="UTF-8"?>
<cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.chemaxon.com/marvin/schema/mrvSchema_14_10_13.xsd" version="ChemAxon file format v14.10.13, generated by v14.11.10.0">
<MDocument>
<MChemicalStruct>
<molecule molID="m1">
<atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12" elementType="C C C C C C C C C O H H" formalCharge="0 0 0 0 0 0 1 0 0 0 0 0" x2="-23.781194407349403 -25.114863748397667 -25.114863748397667 -23.781194407349403 -22.447525066301147 -22.447525066301147 -27.78220243049418 -27.78220243049418 -26.448533089445924 -26.448523308666147 -29.115881552322215 -26.448523308666147" y2="-8.94237789480281 -9.712394835361852 -11.252428716479933 -12.022445657038974 -11.252428716479933 -9.712394835361852 -9.712394835361852 -11.252428716479933 -12.022445657038974 -8.942394835361853 -8.942394835361853 -7.402394835361854"/>
<bondArray>
<bond id="b1" atomRefs2="a1 a2" order="1"/>
<bond id="b2" atomRefs2="a3 a4" order="1"/>
<bond id="b3" atomRefs2="a4 a5" order="2"/>
<bond id="b4" atomRefs2="a5 a6" order="1"/>
<bond id="b5" atomRefs2="a1 a6" order="2"/>
<bond id="b6" atomRefs2="a9 a3" order="1"/>
<bond id="b7" atomRefs2="a2 a3" order="2"/>
<bond id="b8" atomRefs2="a7 a8" order="1"/>
<bond id="b9" atomRefs2="a8 a9" order="1"/>
<bond id="b10" atomRefs2="a7 a10" order="1"/>
<bond id="b11" atomRefs2="a7 a11" order="1"/>
<bond id="b12" atomRefs2="a10 a12" order="1"/>
</bondArray>
</molecule>
</MChemicalStruct>
<MElectronContainer id="o2" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a10" difLoc="0.0 -0.4271436984378223 0.0"/>
<MElectron atomRefs="m1.a10" difLoc="0.21357184921891204 -0.36991729391359307 0.0"/>
</MElectronContainer>
<MElectronContainer id="o3" occupation="0 0" radical="0">
<MElectron atomRefs="m1.a10" difLoc="-0.3020362057064858 0.3020362057064858 0.0"/>
<MElectron atomRefs="m1.a10" difLoc="-0.41258912985772156 0.11055292415123574 0.0"/>
</MElectronContainer>
</MDocument>
</cml>

Now use the Bond tool to convert the C-O single bond to a double bond. The C and O atom are (correctly) underlined to indicate valence errors. Now mouse over C and type -, then mouse over O and type +. Note that the C and O atoms are still underlined as if they still had valence errors. This problem doesn't occur if I use the charge buttons to change the charges of the C and O atoms.


The problem is not general to all typing; if I mouse over the C=O double bond and type 1, it changes back to a single bond, and the valence error indicators go away.

ChemAxon d26931946c

01-12-2014 13:07:04

Hi Bob,


I can't reproduce this issue nor it 14.11.10 nor in our latest release.


I checked moving the mouse over and typing, changing charge in context menu and changing it by clicking on the atom with the charge tool.


The valence status of the atom got updated every time.


Do you experience this issue on Applet or on standalone Marvin?


BRs


Peter

User 870ab5b546

01-12-2014 14:46:50

This appears to be another bug that manifests itself on my home MacBook running Safari with OS 10.9.5, but not on my office MacMini running Safari 8.0 with OS 10.10.1. (I previously reported that the Marvin applet on my laptop only let me magnify twice, but my office computer showed no such limit.)

User 870ab5b546

02-12-2014 03:53:39

The problem happens with both the Marvin applet (in Safari 7.1) and Marvin Beans, both version 14.11.24, on my MacBook Air running OS 10.9.5. See the screen shot of the desktop Marvin with the incorrect valence error highlighting.

ChemAxon d26931946c

02-12-2014 07:44:32

Thank you for the details, I can reproduce the issue now.


I've created a ticket for it and notify you when it's fixed.


Peter

ChemAxon d26931946c

20-01-2015 15:48:09

Hi Bob,


We managed to fixed the bug, it will be in our next release.


BRs,


Peter

User 870ab5b546

02-02-2015 13:16:25

Hi, the documentation on the latest version, 15.1.26.0, doesn't mention this fix. Did the fix make it into this version?

ChemAxon 5693b0ec15

02-02-2015 14:42:33

Dear Bob,


thank you for comment.


The fix was released in 15.1.26.0  and I have just added it to the documentation.


 


Best regards,


Nikolett Mihala