Re: [Cdk-user] DepictionGenerator - unregistered generator?

2016-01-27 Thread John M
I believe so, if you gave it methane as '[H]C([H])([H])[H]' it would only show C (or maybe CH4). J Regards, John W May john.wilkinson...@gmail.com On 26 January 2016 at 20:50, Tim Dudgeon wrote: > OK, so making more sense to me now. > But what does this option do: > >

[Cdk-user] DepictionGenerator - unregistered generator?

2016-01-26 Thread Tim Dudgeon
When I try to use the low level DepictionGenerator.withParam(Class, U) method to set a parameter depiction blows up. e.g. I try: withParam(BasicAtomGenerator.ShowExplicitHydrogens.class, true) and then try to depict I get: java.lang.IllegalAccessError: You requested the active parameter of

Re: [Cdk-user] DepictionGenerator - unregistered generator?

2016-01-26 Thread John M
There are about three different generators which have separate parameters - the depiction generator is intended to hide this, here the withParam is really an expert mode... I should give a better error message though. The depiction generator uses the StandardGenerator and and BasicSceneGenerator

Re: [Cdk-user] DepictionGenerator - unregistered generator?

2016-01-26 Thread Tim Dudgeon
So this means that options like this can't be used with DepictionGenerator? On 26/01/2016 14:53, John M wrote: There are about three different generators which have separate parameters - the depiction generator is intended to hide this, here the withParam is really an expert mode... I should

Re: [Cdk-user] DepictionGenerator - unregistered generator?

2016-01-26 Thread John M
Yep - I'll add a better error message to reflect this. Regards, John W May john.wilkinson...@gmail.com On 26 January 2016 at 16:03, Tim Dudgeon wrote: > So this means that options like this can't be used with DepictionGenerator? > > > On 26/01/2016 14:53, John M wrote: >

Re: [Cdk-user] DepictionGenerator - unregistered generator?

2016-01-26 Thread John M
Sorry bit confused here.. hydrogens are always shown especially with explicit. J http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?smi=%5BN%5D1C%3DCC%3DC1.%5BNH%5D1C%3DCC%3DC1.%5BH%5DN1C%3DCC%3DC1=1.3=none Regards, John W May john.wilkinson...@gmail.com On 26 January 2016 at 17:29, Tim