epam / epam/Indigo

CPP Header autogeneration for integrated monomer templates

Open
#1,429 0 comments 0 reactions 0 assignees View on GitHub
epic: macromolecules Improvement
Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

**Background**
#1412 Introdoced hardcoded basic monomer templates for phosphates, nucleobases and sugars.
The template data saved here: https://github.com/epam/Indigo/blob/master/core/indigo-core/molecule/monomers_basic_templates.h
This file is inconvenient to edit and add new monomer templates.

**Solution**
Monomer's templates should be stored in regular .KET file like monomers_basic_templates.ket and corresponding monomers_basic_templates.h should be autogenerated with cmake.

Contributor guide

No contributing guide indexed for this repository

Research direction

Start by reading core/indigo-core/molecule/monomers_basic_templates.h and the surrounding CMake configuration. Define the regular monomers_basic_templates.ket source and determine how CMake should generate the corresponding header. Done means the templates are maintained in the KET file, the header is generated from it, and the project still builds successfully.

Written by the indexing model from the issue text.

Assessment

Tech stack
cmake, cpp
Domain
build-system, tooling
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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