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36 // These classes belong to gromacs.Selection, but will remain here until
37 // t_trxframe and t_pbc are split from TrajectoryAnalysis
38 class SelectionCollection /NoDefaultCtors/ {
40 #include <gromacs/selection/selectioncollection.h>
43 SelectionCollection();
44 void evaluate(t_trxframe *fr, t_pbc *pbc);
45 void evaluateFinal(int nframes);
48 class ITopologyProvider;
49 class SelectionOptionBehavior : public IOptionsBehavior /NoDefaultCtors/ {
51 #include <gromacs/selection/selectionoptionbehavior.h>
52 using gmx::SelectionOptionBehavior;
53 using gmx::ITopologyProvider;
56 SelectionOptionBehavior(SelectionCollection *selections,
57 ITopologyProvider *topologyProvider);
58 void initOptions(IOptionsContainer *options);
59 virtual void initBehavior(Options *options);
60 virtual void optionsFinishing(Options *options);
61 virtual void optionsFinished();
64 class TrajectoryAnalysisRunnerCommon /NoDefaultCtors/ {
66 #include <gromacs/trajectoryanalysis/runnercommon.h>
69 explicit TrajectoryAnalysisRunnerCommon(TrajectoryAnalysisSettings *settings);
70 ~TrajectoryAnalysisRunnerCommon();
72 ITopologyProvider *topologyProvider();
74 void initOptions(IOptionsContainer *options, TimeUnitBehavior *timeUnitBehavior);
75 void optionsFinished();
77 void initFirstFrame();
78 void initFrameIndexGroup();
82 bool hasTrajectory() const;
83 const TopologyInformation &topologyInformation() const;
84 t_trxframe &frame() const;