[OpenBabel-Devel] Proposal for a modern C++ codebase

2015-04-27 Thread Ryushiro Sugehara
Hi all, I've created an experimental fork to show a new codebase of openbabel: https://github.com/openbabel/openbabel/issues/154 My codes are just a demo. It aims to show what will happen if you make a massive change on the interface. For further details please see the attached link above. Tell

Re: [OpenBabel-Devel] Proposal for a modern C++ codebase

2015-04-27 Thread Maciek Wójcikowski
Hello, Just to add my 2c. As an end-user/python/php dev: - removing obsolete/redundant code is always welcome - introducing Boost is quite heavy dependency, so you'd have to highlight the advantages to the community it will bring - i think that object serialization (for OBMol as a

Re: [OpenBabel-Devel] Proposal for a modern C++ codebase

2015-04-27 Thread David Koes
Eh. Most changes seem to be syntactic sugar (e.g., NULL-nullptr). What are the changes that bring actual value to the users/developers and why can't they be implemented without breaking compatibility? You can have a great library written in C. Or Python. Or Haskel. I don't see the fact that

Re: [OpenBabel-Devel] Windows 3rd party libs/dlls

2015-04-27 Thread Craig James
On Mon, Apr 27, 2015 at 5:55 AM, Marcus D. Hanwell marcus.hanw...@kitware.com wrote: On Sun, Apr 26, 2015 at 3:16 PM, Noel O'Boyle baoille...@gmail.com wrote: Hi there, I propose moving the MSVC-specific 3rd party libs, dlls and include files to a separate git submodule. Or perhaps

Re: [OpenBabel-Devel] Proposal for a modern C++ codebase

2015-04-27 Thread Michael Banck
On Tue, Apr 28, 2015 at 12:05:59AM +0900, Nana Sakisaka wrote: So I think it comes to a decision whether (1) you take a modern C++ impl and drop support for SWIG, or, (2) OpenBabel will oficially not support modern C++ features since it's gonna break the community. Not that it counts for

Re: [OpenBabel-Devel] Proposal for a modern C++ codebase

2015-04-27 Thread Marcus D. Hanwell
On Mon, Apr 27, 2015 at 11:12 AM, Igor Filippov [Contr] igor.filip...@nih.gov wrote: On 4/27/2015 11:05 AM, Nana Sakisaka wrote: Also, If you're using modern C++, it always comes with Boost library. Oh, my! Did I miss the memo? When was this announced? Careful with strong statements like

Re: [OpenBabel-Devel] Proposal for a modern C++ codebase

2015-04-27 Thread Mathias Laurin
Dear Sakisaka, This is also only my opinion, I am not an OB dev but only a user who contributed fixes to whatever broke on me. But here it is. Some of the changes you propose, like removing `using namespace std` are cosmetic but it may be that you could get them into the main repo without much

Re: [OpenBabel-Devel] Proposal for a modern C++ codebase

2015-04-27 Thread Geoffrey Hutchison
So I think it comes to a decision whether (1) you take a modern C++ impl and drop support for SWIG, or, (2) OpenBabel will oficially not support modern C++ features since it's gonna break the community. You can certainly write modern (C++14) and use SWIG. You can support modern C++ and not