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

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

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] Windows 3rd party libs/dlls

On Sun, Apr 26, 2015 at 3:16 PM, Noel O'Boyle wrote: > Hi there, > > I propose moving the MSVC-specific 3rd party libs, dlls and include > files to a separate git submodule. Or perhaps just a separate repo (to > avoid needless downloading for Linux/Mac users). > > One motivating factor is that I s

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

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 o

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

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 > wrote: > > Hi there, > > > > I propose moving the MSVC-specific 3rd party libs, dlls and include > > files to a separate git submodule. Or perhaps just a separ

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

Hello, Maciek: - I do agree that introducing Boost is a heavy dependency, but still I have a reason to do so. - Unfortunally I don't see large benefits for object serialization. There are many standard formats for storing complete chemical structure such as MDL and CML. I think it's not a good

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

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

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

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

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] Windows 3rd party libs/dlls

> +1 on that suggestion/request. Many/most of us have no use for any particular > binary, and don't want our downloads to include them. Actually, GitHub has a new feature that basically does exactly what you outline: https://github.com/blog/1986-announcing-git-large-file-storage-lfs

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

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

> 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

[OpenBabel-Devel] Let's add some tests

Hi all, Consider adding regression tests (or unit tests or whatever) to your next commit. I've created a file, regressionstest.cpp, as a placeholder to take your test code. It should be no extra work: you probably already create some test code to exercise the bug/feature you are working on; just

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

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