D for project in computational chemistry

Yura via Digitalmars-d digitalmars-d at puremagic.com
Sun Aug 2 09:25:16 PDT 2015


Dear D coders/developers,

I am just thinking on one project in computational chemistry, and 
it is sort of difficult for me to pick up the right language this 
project to be written. The project is going to deal with the 
generation of the molecular structures and will resemble to some 
extent some bio-informatic stuff. Personally I code in two 
languages - Python, and a little bit in C (just started to learn 
this language).

While it is easy to code in Python there are two things I do not 
like:

1) Python is slow for nested loops (much slower comparing to C)
2) Python is not compiled. However, I want to work with a code 
which can be compiled and distributed as binaries (at least at 
the beginning).

When it comes to C, it is very difficult to code (I am a chemist 
rather than computer scientist). The pointers, memory allocation, 
absence of the truly dynamically allocated arrays, etc, etc make 
the coding very long. C is too low level I believe.

I just wander how D would be suitable for my purpose? Please, 
correct me if I am wrong, but in D the need of pointers is 
minimal, there is a garbage collector, the arrays can be 
dynamically allocated, the arrays can be sliced, ~=, etc which 
makes it similar to python at some extent. I tried to write a 
little code in D and it was very much intuitive and similar to 
what I did both in Python and C.

Any hints/thoughts/advises?

With kind regards,
Yury



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