[gmx-developers] Developer's Manual

[Anton Feenstra]

Senthil Kandasamy wrote:
> Hi all, 
> 
> I remember hearing talk about a developers manual being created soon. Of
> late, I find myself looking into the source code of most analysis tools
> to be able to add my own features into some of them, but am usually lost
> in the maze of subroutines. I understand that most of the main
> developers are immersed in more important code development and
> documentation is the last thing in their minds. But, is there any
> preliminary documentation that is available that would basically tell me
> where all the libraries and important subroutines are and what they do?
> That would help a lot. 

No documentations yet (except for the few things mentioned in the other
replies, and the two links on the web). I have had a lot of help from a
very simple tool, a simple grep alias:

alias gg 'grep \!* {,*/,*/*/}*.{c,cc,m4,h}'

(this is for csh/tcsh, but it might work for sh/zsh/bash also.)

Typing e.g. 'gg do_fit' in src/tools, will list all files and lines for
the tools where 'do_fit' is used. Typing it in src, obviously, will
list even more, including src/gmxlib, where presumably it is defined.
Finally, in share/include (or <whatever>/include), will give you type
definitions etc.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
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