Add histogram output for 'gmx gangle'.
authorTeemu Murtola <teemu.murtola@gmail.com>
Tue, 26 Mar 2013 04:43:57 +0000 (06:43 +0200)
committerTeemu Murtola <teemu.murtola@gmail.com>
Tue, 26 Mar 2013 04:45:59 +0000 (06:45 +0200)
commite50148920a464144d7cc8f931d7885db19d81c9b
tree4d09b2bba8d251aa9b32bd388a447874b7066d22
parentee0af4246c484292e29b1ad8269003d242b7020c
Add histogram output for 'gmx gangle'.

This analysis module can now compute histograms of the angles with -oh.
Bin width can be set with -binw.

Change-Id: Ib4f72e43c84706685f1dbc9584bd31ca1abda297
src/gromacs/trajectoryanalysis/modules/angle.cpp
src/gromacs/trajectoryanalysis/modules/angle.h
src/gromacs/trajectoryanalysis/tests/angle.cpp
src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesDihedrals.xml
src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesPlaneZAxisAngles.xml
src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesSimpleAngles.xml
src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorPairAngles.xml
src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorPlanePairAngles.xml
src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorSphereNormalZAxisAngles.xml
src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorTimeZeroAngles.xml