Is it possible to set the font of the substituent independently

[miracle1111111]

Hello, there is a question recently that is very troublesome. Is it possible to set the font of the substituent separately, because the default substituent is italic, and the substituent I want to generate is a normal font. In addition, can the number in the upper right corner of the substituent be placed in the lower right corner? I don’t know where to set it. thank you very much

[johnmay]

No it's not an option. The reason it is italic is because people use labels other than R, for example W, Y and even B. Using italics allows us to visually distinguish these from tungsten, yttrium and boron.

Note if you want an abbreviation, e.g. -CO2H these will be plain font. We could add option for it but what is the use case, just you don't like it?

[miracle1111111]

Thank you very much for your reply. I want to generate the same picture as the literature, because in the literature, the substituents are plain fonts. The superscripts of substituents in the literature are sometimes in the lower right corner. As you mentioned, the chemical structure pictures generated by the CDK for the above CONH2, CH3, etc. are all expanded, and I don’t know how to generate this. I really want to know how to solve these problems. thank you very much.

[johnmay]

You can use Abbreviations API to contract functional groups.

Why do you want to generate the same picture as in the literature? Even including the ; on the R2 label and the bent ketone bond? The super/subscript is purely a stylistic and not something I think is useful to control in CDK atm - these types of details are more akin to a sketcher (e.g. ChemDraw)

[miracle1111111]

Thank you for your reply. Not including the ; I added it by mistake. Because I want to generate the same picture as the literature to train the model, so the effect is better. Finally, I want to change by modifying the source code, but in the source code, I did not find where the settings for the substitute font are

[johnmay]

Okay - since this is a 1 off case I think it's best if you change your local version. You need to modify: StandardAtomGenerator.generatePseudoSymbol()

[johnmay]

I've add the following option:

depictgen = depictgen.withParam(StandardGenerator.PseudoFontStyle.class,
                                                          Font.PLAIN);

to configure this. The superscript vs subscript I've left for now.

[miracle1111111]

I have learned a lot, thank you very much.

------------------ 原始邮件 ------------------ 发件人: "cdk/depict" <notifications@github.com>; 发送时间: 2020年7月20日(星期一) 下午5:25 收件人: "cdk/depict"<depict@noreply.github.com>; 抄送: "Miracle"<541766011@qq.com>;"Author"<author@noreply.github.com>; 主题: Re: [cdk/depict] Is it possible to set the font of the substituent independently (#22)

I've add the following option: depictgen = depictgen.withParam(StandardGenerator.PseudoFontStyle.class, Font.PLAIN);
to configure this. The superscript vs subscript I've left for now.

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