src/gromacs/coordinateio/outputadapters/setprecision.h

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  35 /*! \file
  36  * \brief
  37  * Declares gmx::SetPrecision.
  38  *
  39  * \author Paul Bauer <paul.bauer.q@gmail.com>
  40  * \inpublicapi
  41  * \ingroup module_coordinateio
  42  */
  43 #ifndef GMX_FILEIO_SETPRECISION_H
  44 #define GMX_FILEIO_SETPRECISION_H
  45
  46 #include <algorithm>
  47
  48 #include "gromacs/coordinateio/ioutputadapter.h"
  49 #include "gromacs/utility/real.h"
  50
  51 namespace gmx
  52 {
  53
  54 /*!\brief
  55  * SetPrecision class allows changing file writing precision.
  56  *
  57  * This class allows the user to define the precision for writing
  58  * coordinate data to output files.
  59  *
  60  * \inpublicapi
  61  * \ingroup module_coordinateio
  62  *
  63  */
  64 class SetPrecision : public IOutputAdapter
  65 {
  66 public:
  67     /*! \brief
  68      * Construct SetPrecision object with user defined value.
  69      *
  70      * Can be used to initialize SetPrecision from outside of trajectoryanalysis
  71      * with the user specified option to change precision or not.
  72      *
  73      * \param[in] precision User defined value for output precision in file types that support it.
  74      */
  75     explicit SetPrecision(int precision) : precision_(precision)
  76     {
  77         // Only request special treatment if precision is not the default.
  78         if (precision == 3)
  79         {
  80             moduleRequirements_ = CoordinateFileFlags::Base;
  81         }
  82         else
  83         {
  84             moduleRequirements_ = CoordinateFileFlags::RequireChangedOutputPrecision;
  85         }
  86     }
  87     /*! \brief
  88      *  Move constructor for SetPrecision.
  89      */
  90     SetPrecision(SetPrecision&& old) noexcept = default;
  91
  92     ~SetPrecision() override {}
  93
  94     void processFrame(int /*framenumber*/, t_trxframe* input) override;
  95
  96     void checkAbilityDependencies(unsigned long abilities) const override;
  97
  98 private:
  99     //! User specified changes to default precision.
 100     int precision_;
 101     //! Module requirements dependent on user input.
 102     CoordinateFileFlags moduleRequirements_;
 103 };
 104
 105 //! Smart pointer to manage the outputselector object.
 106 using SetPrecisionPointer = std::unique_ptr<SetPrecision>;
 107
 108 } // namespace gmx
 109
 110 #endif