[gmx-developers] trajana.h trajana.c
paolo.franz at gmail.com
Wed Apr 11 11:47:56 CEST 2012
Thanks for the answer. Am I correct in saying that if I want to activate
two options (say ANA_USE_TOPX and ANA_NOUSER_PBC, which might not make any
sense!) for a trajectory, I need to call gmx_ana_traj_create with
flags=ANA_USE_TOPX | ANA_NOUSER_PBC?
Sorry if my questions are silly, I am more familiar with c++ than c and I
have used rarely bitwise operations.
On 11 April 2012 11:26, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:
> Hi Paolo,
> If you use masking and other bitwise operations, it is handy to know
> which bit is set; the second for ANA_USE_TOPX and the fifth for
> ANA_NOUSER_PBC. Of course it's equal to 2 and 16, but that notation
> makes it a bit less obvious what to do with bitwise operations.
> On Wed, Apr 11, 2012 at 11:18 AM, Paolo Franz <paolo.franz at gmail.com>
> > Hello everybody,
> > For sometimes, I have been developing analysis tools for gromacs
> > trajectories using the gromacs library. I am puzzled about some
> > in the file trajana.h, which I do not seem to understand completely. Why
> > definitions such as
> > #define ANA_USE_TOPX (1<<1)
> > #define ANA_NOUSER_PBC (1<<4)
> > used in the code? What is the purpose of this bitwise shift - why not set
> > ANA_USE_TOPX and ANA_NOUSER_PBC to 2 and 16 for instance??
> > Thanks in advance
> > Paolo
> > --
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> Tsjerk A. Wassenaar, Ph.D.
> post-doctoral researcher
> Molecular Dynamics Group
> * Groningen Institute for Biomolecular Research and Biotechnology
> * Zernike Institute for Advanced Materials
> University of Groningen
> The Netherlands
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