important electron-flow arrows bug

User 870ab5b546

07-07-2006 21:00:11

In the compound below, it should be possible to draw an electron-flow arrow from the C1=C2 bond to a C2-C5 incipient bond, but it is not.

Code:

<?xml version="1.0" ?>

<MDocument>

<MChemicalStruct>

<molecule molID="m1">

<atomArray

atomID="a1 a2 a3 a4 a5 a6"

elementType="C C C C C C"

radical="0 0 0 0 monovalent 0"

x2="-5.533640047683716 -3.958639761581421 -2.4580267461395264 -2.4580267461395264 -3.7916667461395264 -3.7916667461395264"

y2="1.6963331227302554 3.411333253860473 2.594666650772094 1.054666650772095 0.2846666507720954 -1.2553333492279046"

/>

<bondArray>

<bond atomRefs2="a5 a1" order="1" />

<bond atomRefs2="a1 a2" order="2" />

<bond atomRefs2="a3 a4" order="1" />

<bond atomRefs2="a5 a4" order="1" />

<bond atomRefs2="a2 a3" order="1" />

<bond atomRefs2="a5 a6" order="1" />

</bondArray>

</molecule>

</MChemicalStruct>

</MDocument>

And in the following compound, it should be possible to draw an electron-flow arrow from the C3-C4 bond to the incipient C3-C5 bond, but it is not.

Code:

<?xml version="1.0" ?>

<MDocument>

<MChemicalStruct>

<molecule molID="m1">

<atomArray

atomID="a1 a2 a3 a4 a5 a6"

elementType="C C C C C C"

formalCharge="0 0 0 0 1 0"

x2="-5.533640047683716 -3.958639761581421 -2.4580267461395264 -0.7080266269302369 -3.7916667461395264 -3.7916667461395264"

y2="1.6963331227302554 3.411333253860473 2.594666650772094 0.6463333194255831 0.2846666507720954 -1.2553333492279046"

/>

<bondArray>

<bond atomRefs2="a5 a1" order="1" />

<bond atomRefs2="a3 a4" order="1" />

<bond atomRefs2="a5 a4" order="1" />

<bond atomRefs2="a2 a3" order="1" />

<bond atomRefs2="a5 a6" order="1" />

</bondArray>

</molecule>

</MChemicalStruct>

</MDocument>

User 870ab5b546

10-07-2006 16:42:06

The same bug is also present in Marvin 4.1.0alpha19.

Please fix!

User 870ab5b546

12-07-2006 14:17:38

Hey folks, no acknowledgement on this bug report? It's unlike you not to respond. It's critical to us that it be fixed.

ChemAxon 7c2d26e5cf

12-07-2006 14:32:54

We will fix it as soon as possible.

User ef5e605ae6

25-07-2006 12:48:22

fixed

User 870ab5b546

25-07-2006 14:53:06

Köszönöm! Is the fix available for download in the alpha version?

ChemAxon 7c2d26e5cf

25-07-2006 14:58:33

Yes, but firstly, I should build that new alpha release. I will do it this week.

User 870ab5b546

28-07-2006 13:17:07

Tamas wrote:

Yes, but firstly, I should build that new alpha release. I will do it this week.

Hi Tamas,

It's the end of the week. Is the new alpha build ready?

-- Bob

ChemAxon 7c2d26e5cf

28-07-2006 13:22:01

I am going to do it today. I have got 8 and a half hours till midnight.

User 870ab5b546

28-07-2006 15:36:13

My wife wants you to be aware that we are eight hours earlier than you, so you actually have until 8 am Saturday your time. :-)

ChemAxon 7c2d26e5cf

28-07-2006 16:24:01

It will be ready in two hours.

ChemAxon 7c2d26e5cf

28-07-2006 17:14:41

The new Marvin alpha (4.1.0alpha20) is ready.

http://www.chemaxon.com/shared/alpha/marvin