MSketch - Check if was drawned moleculas without conection

Hi !

I need to check in MarvinSketch (web development) if was drawned moleculas without  conections

I found function "fragmentCount" here - https://www.chemaxon.com/marvin/help/chemicalterms/EvaluatorFunctions.html#geometry_functions.

 I try to call it in JavaScript. But it don't returns any results. See the code that i use -

function FCount()
    {
       alert(document.MSketch.fragmentCount());
    }

<input TYPE=BUTTON VALUE="FragmentCount" onClick="FCount()">

==========

Is this the right function for my scope? if yes how to use it correctly in JS?

See the attached mol file.

Best regards.

Hi,

you may found a useful excpetion for your case in section 4 on our applet examples page.

I hope that helps, if it is not, then do not hesitate to ask further.

Regards,
Istvan

Hi Istvan!

I saw this examples and I implemented it with success.

But my question refer to fragmentCount function. The problem (as I think) that fragmentCount() function don't work with document.MSketch. Maybe it use another class ? I need an example how to call this function in Javascript.

Thanks.

Hi,

yes that is true, document.MSketch does not have a fragmentCount() method. You can evaluate chemical terms expressions by document.MSketch.evaluateChemicalterms(String expression) method that returns the calculated value of a chemical terms as String.

You also can check if the chemical terms expression is valid or contains some error, by document.MSketch.isChemicalTermsExpressionSyntaxError() method that returns a boolean.

So, to get the fragment count, you should call document.MSketch.evaluateChemicalTerms("fragmentCount()").

That should work.

Regards,
Istvan

document.MSketch.isChemicalTermsExpressionSyntaxError()

document.MSketch.isChemicalTermsExpressionSyntaxError()

Hi Istvan!

SOLVED. It work! Thanks.

I have another question - How to detect if formula contain Carbon atom or not ?

P.S.

If is necessary to post another topic with this question, please tell me and i will do.

Hi,

you can use the atomCount chemical terms method.

example:

JMSketch.evaluateChemicalTerms("atomCount(\"6\")")

documentation can be found here:

http://www.chemaxon.com/marvin/help/chemicalterms/EvaluatorFunctions.html#atomcount

Regards,
Istvan