Re: [Cdk-user] CDK in PyCharm IDE

2020-06-24 Thread John Mayfield 
Hi Stuart,

We have some small snippets here (
https://github.com/cdk/cdk/wiki/Toolkit-Rosetta) but most of our doc is
geared towards having at least some familiarity with writing and using Java
libraries. Saying you don't see a plugin in the IDE for CDK is like saying
you don't see a petrol cap on an electric car. Removing the Python vs JAVA
issues - CDK is a chemistry toolkit (distinctly not an application) - you
link in the JAR file to your own code and use it's components. IDE plugins
help you code, formatting, syntax highlighting etc.

Now skipping over a lot of details you can link a Java JAR in different
ways either manually via the classpath or more commonly via a build tool
(e.g. maven/gradle/ant). Before going further I think it would be better to
start from what you hope to do, i.e. why CDK within the PyCharm IDE? Are
you just wanting to have a play around or was there a task you wanted
to accomplish?

John

On Wed, 24 Jun 2020 at 23:26, Chalk, Stuart  wrote:

> Markus
>
> Thanks for that great idea!
>
> Sadly, I don’t find CDK in the Plugin marketplace for PyCharm.
> All the plugins are coding related of course...
>
> Regards,
> Stuart
>
> On Jun 24, 2020, at 5:35 PM, Markus Sitzmann 
> wrote:
>
> Hi Stuart,
>
> Pycharm is a specialized version of the IntelliJ IDE for python, Intelij
> itself (and pycharm) is written in Java, so the solution for CDK should be
> using Intelij. I am not sure if you can get Java extensions for pycharm
> (the professional versions of pycharm and IntelliJ even require separate
> licenses, but there is a community version of both)
>
> Markus
>
> ---
> Markus Sitzmann
>
>
> On 24. Jun 2020, at 23:20, Chalk, Stuart  wrote:
>
>  I am interested in using CDK within the PyCharm IDE.  I see that the
> recommendation on the CDK website is to use Cinfony, however the package on
> PyPi does not work and there does not seem to be a version after 2012.
> If anyone has expertise/advise/suggestions please let me know…
>
> I hope everyone out there in CDK land is doing OK given the current
> situation...
>
> Stuart Chalk, Ph.D.
> Professor of Chemistry
> Department of Chemistry, Building 50, Room 3514,
> University of North Florida
> 1 UNF Drive, Jacksonville, FL 32224 USA
> ORCID: -0002-0703-7776
> P: 904-620-1938
> F: 904-620-3535
> E: sch...@unf.edu
> W: http://www.unf.edu/coas/chemistry/
> 
> faculty/Stuart_Chalk.aspx
> 
>
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Re: [Cdk-user] CDK in PyCharm IDE

2020-06-24 Thread Chalk, Stuart 
Markus

Thanks for that great idea!

Sadly, I don’t find CDK in the Plugin marketplace for PyCharm.
All the plugins are coding related of course...

Regards,
Stuart

On Jun 24, 2020, at 5:35 PM, Markus Sitzmann 
mailto:markus.sitzm...@gmail.com>> wrote:

Hi Stuart,

Pycharm is a specialized version of the IntelliJ IDE for python, Intelij itself 
(and pycharm) is written in Java, so the solution for CDK should be using 
Intelij. I am not sure if you can get Java extensions for pycharm (the 
professional versions of pycharm and IntelliJ even require separate licenses, 
but there is a community version of both)

Markus

---
Markus Sitzmann


On 24. Jun 2020, at 23:20, Chalk, Stuart 
mailto:sch...@unf.edu>> wrote:

 I am interested in using CDK within the PyCharm IDE.  I see that the 
recommendation on the CDK website is to use Cinfony, however the package on 
PyPi does not work and there does not seem to be a version after 2012.
If anyone has expertise/advise/suggestions please let me know…

I hope everyone out there in CDK land is doing OK given the current situation...

Stuart Chalk, Ph.D.
Professor of Chemistry
Department of Chemistry, Building 50, Room 3514,
University of North Florida
1 UNF Drive, Jacksonville, FL 32224 USA
ORCID: -0002-0703-7776
P: 904-620-1938
F: 904-620-3535
E: sch...@unf.edu
W: 
http://www.unf.edu/coas/chemistry/faculty/Stuart_Chalk.aspx

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Re: [Cdk-user] CDK in PyCharm IDE

2020-06-24 Thread Markus Sitzmann 
Hi Stuart,  

Pycharm is a specialized version of the IntelliJ IDE for python, Intelij itself 
(and pycharm) is written in Java, so the solution for CDK should be using 
Intelij. I am not sure if you can get Java extensions for pycharm (the 
professional versions of pycharm and IntelliJ even require separate licenses, 
but there is a community version of both)

Markus 

---
Markus Sitzmann


> On 24. Jun 2020, at 23:20, Chalk, Stuart  wrote:
> 
>  I am interested in using CDK within the PyCharm IDE.  I see that the 
> recommendation on the CDK website is to use Cinfony, however the package on 
> PyPi does not work and there does not seem to be a version after 2012.
> If anyone has expertise/advise/suggestions please let me know…
> 
> I hope everyone out there in CDK land is doing OK given the current 
> situation...
> 
> Stuart Chalk, Ph.D.
> Professor of Chemistry
> Department of Chemistry, Building 50, Room 3514,
> University of North Florida
> 1 UNF Drive, Jacksonville, FL 32224 USA
> ORCID: -0002-0703-7776
> P: 904-620-1938
> F: 904-620-3535
> E: sch...@unf.edu
> W: http://www.unf.edu/coas/chemistry/faculty/Stuart_Chalk.aspx
> 
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[Cdk-user] CDK in PyCharm IDE

2020-06-24 Thread Chalk, Stuart 
I am interested in using CDK within the PyCharm IDE.  I see that the 
recommendation on the CDK website is to use Cinfony, however the package on 
PyPi does not work and there does not seem to be a version after 2012.
If anyone has expertise/advise/suggestions please let me know…

I hope everyone out there in CDK land is doing OK given the current situation...

Stuart Chalk, Ph.D.
Professor of Chemistry
Department of Chemistry, Building 50, Room 3514,
University of North Florida
1 UNF Drive, Jacksonville, FL 32224 USA
ORCID: -0002-0703-7776
P: 904-620-1938
F: 904-620-3535
E: sch...@unf.edu
W: 
http://www.unf.edu/coas/chemistry/faculty/Stuart_Chalk.aspx

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