Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / trajectoryanalysis / modules / distance.h

diff --git a/src/gromacs/trajectoryanalysis/modules/distance.h b/src/gromacs/trajectoryanalysis/modules/distance.h
index 6fa5003ca675661f4e203ae02f394219e9f591de..519176d57724559d5540486fba6c0117fa4ffc58 100644 (file)
--- a/src/gromacs/trajectoryanalysis/modules/distance.h
+++ b/src/gromacs/trajectoryanalysis/modules/distance.h
@@ -1,10 +1,10 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2010,2011,2012, by the GROMACS development team, led by
- * David van der Spoel, Berk Hess, Erik Lindahl, and including many
- * others, as listed in the AUTHORS file in the top-level source
- * directory and at http://www.gromacs.org.
+ * Copyright (c) 2010,2011,2012,2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
  *
  * GROMACS is free software; you can redistribute it and/or
  * modify it under the terms of the GNU Lesser General Public License
@@ -42,12 +42,7 @@
 #ifndef GMX_TRAJECTORYANALYSIS_MODULES_DISTANCE_H
 #define GMX_TRAJECTORYANALYSIS_MODULES_DISTANCE_H
 
-#include <string>
-
-#include "../analysismodule.h"
-#include "gromacs/analysisdata/analysisdata.h"
-#include "gromacs/analysisdata/modules/average.h"
-#include "gromacs/selection/selection.h"
+#include "gromacs/trajectoryanalysis/analysismodule.h"
 
 namespace gmx
 {
@@ -55,33 +50,12 @@ namespace gmx
 namespace analysismodules
 {
 
-class Distance : public TrajectoryAnalysisModule
+class DistanceInfo
 {
     public:
         static const char name[];
         static const char shortDescription[];
-
-        Distance();
-        virtual ~Distance();
-
-        virtual void initOptions(Options                    *options,
-                                 TrajectoryAnalysisSettings *settings);
-        virtual void initAnalysis(const TrajectoryAnalysisSettings &settings,
-                                  const TopologyInformation        &top);
-
-        virtual void analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc,
-                                  TrajectoryAnalysisModuleData *pdata);
-
-        virtual void finishAnalysis(int nframes);
-        virtual void writeOutput();
-
-    private:
-        std::string                      fnDist_;
-        Selection                        sel_[2];
-        AnalysisData                     data_;
-        AnalysisDataAverageModulePointer avem_;
-
-        // Copy and assign disallowed by base.
+        static TrajectoryAnalysisModulePointer create();
 };
 
 } // namespace analysismodules