From 0c9b289020f68ccfe2fa6a49d7d6cd4b237faebe Mon Sep 17 00:00:00 2001
From: Teemu Murtola <teemu.murtola@gmail.com>
Date: Sun, 10 Aug 2014 07:24:06 +0300
Subject: [PATCH] Improve initAfterFirstFrame() usability

The initAnalysis() function was changed a long time ago to take the
analysis settings as a parameter, to make it easy to use those values in
initialization without storing them in local variables.
Do the same for initAfterFirstFrame(), now that there is a tool in
pipeline (gmx rdf) that would actually use this function and sees the
same issue there.

Change-Id: Ib10abb3790ac5472070edc76155cfa50cce96541
---
 src/gromacs/trajectoryanalysis/analysismodule.cpp | 4 +++-
 src/gromacs/trajectoryanalysis/analysismodule.h   | 3 ++-
 src/gromacs/trajectoryanalysis/cmdlinerunner.cpp  | 2 +-
 3 files changed, 6 insertions(+), 3 deletions(-)

diff --git a/src/gromacs/trajectoryanalysis/analysismodule.cpp b/src/gromacs/trajectoryanalysis/analysismodule.cpp
index 721bac031e..a9ccfd833c 100644
--- a/src/gromacs/trajectoryanalysis/analysismodule.cpp
+++ b/src/gromacs/trajectoryanalysis/analysismodule.cpp
@@ -293,7 +293,9 @@ void TrajectoryAnalysisModule::optionsFinished(
 }
 
 
-void TrajectoryAnalysisModule::initAfterFirstFrame(const t_trxframe & /*fr*/)
+void TrajectoryAnalysisModule::initAfterFirstFrame(
+        const TrajectoryAnalysisSettings & /*settings*/,
+        const t_trxframe                 & /*fr*/)
 {
 }
 
diff --git a/src/gromacs/trajectoryanalysis/analysismodule.h b/src/gromacs/trajectoryanalysis/analysismodule.h
index 1bee97d8a9..af1cfbbf18 100644
--- a/src/gromacs/trajectoryanalysis/analysismodule.h
+++ b/src/gromacs/trajectoryanalysis/analysismodule.h
@@ -295,7 +295,8 @@ class TrajectoryAnalysisModule
          *
          * The default implementation does nothing.
          */
-        virtual void initAfterFirstFrame(const t_trxframe &fr);
+        virtual void initAfterFirstFrame(const TrajectoryAnalysisSettings &settings,
+                                         const t_trxframe                 &fr);
 
         /*! \brief
          * Starts the analysis of frames.
diff --git a/src/gromacs/trajectoryanalysis/cmdlinerunner.cpp b/src/gromacs/trajectoryanalysis/cmdlinerunner.cpp
index 426796c5d1..9374c26c46 100644
--- a/src/gromacs/trajectoryanalysis/cmdlinerunner.cpp
+++ b/src/gromacs/trajectoryanalysis/cmdlinerunner.cpp
@@ -195,7 +195,7 @@ TrajectoryAnalysisCommandLineRunner::run(int argc, char *argv[])
 
     // Load first frame.
     common.initFirstFrame();
-    module->initAfterFirstFrame(common.frame());
+    module->initAfterFirstFrame(settings, common.frame());
 
     t_pbc  pbc;
     t_pbc *ppbc = settings.hasPBC() ? &pbc : NULL;
-- 
2.22.0