[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 sta

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

2015-04-27 Thread David Koes
hat makes openbabel so useful to a wide range of people. At one point or another I have used the python, perl, or php bindings. -Dave Message: 6 Date: Mon, 27 Apr 2015 19:20:24 +0900 From: Ryushiro Sugehara Subject: [OpenBabel-Devel] Proposal for a modern C++ codebase To: openbabel-devel@lists.

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

2015-04-27 Thread Nana Sakisaka
of what > makes openbabel so useful to a wide range of people. At one point or > another I have used the python, perl, or php bindings. > > -Dave > > > Message: 6 > Date: Mon, 27 Apr 2015 19:20:24 +0900 > From: Ryushiro Sugehara > Subject: [OpenBabel-Devel] Proposal for

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

2015-04-27 Thread Igor Filippov [Contr]
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 this more often than not they are completely wrong. My 2 cents, Igor ---

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 m

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] 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 this more ofte

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 t

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

2015-04-27 Thread Geoffrey Hutchison
Several people have said some good related comments, but I feel I should make some of my own. > 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 trouble. Indeed. As you might guess, these a

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

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

2015-04-27 Thread Craig James
On Mon, Apr 27, 2015 at 8:05 AM, Nana Sakisaka wrote: > > Please understand that I'm not going to destroy the original project. > I want to say a simple sentence: > The C++ library should be updated. > Again I ask: why? I'm not trying to be difficult or critical. Rather, I think this is a perfec