src/gromacs/coordinateio/outputadaptercontainer.h

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  35 /*! \file
  36  * \brief
  37  * Declares gmx::OutputAdapterContainer, a storage object for
  38  * multiple outputadapters derived from the IOutputadaper interface.
  39  *
  40  * \author Paul Bauer <paul.bauer.q@gmail.com>
  41  * \inlibraryapi
  42  * \ingroup module_coordinateio
  43  */
  44 #ifndef GMX_COORDINATEIO_OUTPUTADAPTERCONTAINER_H
  45 #define GMX_COORDINATEIO_OUTPUTADAPTERCONTAINER_H
  46
  47 #include <memory>
  48 #include <vector>
  49
  50 #include "gromacs/coordinateio/ioutputadapter.h"
  51 #include "gromacs/utility/arrayref.h"
  52 #include "gromacs/utility/classhelpers.h"
  53 #include "gromacs/utility/enumerationhelpers.h"
  54
  55 namespace gmx
  56 {
  57
  58 /*! \libinternal \brief
  59  * Storage for output adapters that modify the state of a t_trxframe object.
  60  *
  61  * The OutputAdapterContainer is responsible for storing the number of
  62  * OutputAdapters, as well as the bitmask representing the current requirements
  63  * for constructing an CoordinateFile object with the modules registered. It is responsible
  64  * for ensuring that no module can be registered multiple times, and that the
  65  * correct order for some modifications is observed (e.g. we can not reduce the
  66  * number of coordinates written to a file before we have set all the other flags).
  67  * Any other behaviour indicates a programming error and triggers an assertion.
  68  *
  69  * The abilities that need to be cross checked for the container are usually constrained
  70  * by the file format the coordinate data will be written to. When declaring new abilities,
  71  * these must match the file type for the output.
  72  *
  73  * \todo Keeping track of those abilities has to be the responsibility of an object
  74  *       implementing and interface that declares it capabilities and will execute the
  75  *       the function of writing to a file.
  76  * \todo This could be changed to instead construct the container with a pointer to an
  77  *       ICoordinateOutputWriter that can be passed to the IOutputAdapter modules to check
  78  *       their cross-dependencies.
  79  */
  80 class OutputAdapterContainer
  81 {
  82     public:
  83         //! Only allow constructing the container with defined output abilities.
  84         explicit OutputAdapterContainer(unsigned long abilities)
  85             : abilities_(abilities)
  86         {}
  87         //! Allow abilities to be also defined using the enum class.
  88         explicit OutputAdapterContainer(CoordinateFileFlags abilities)
  89             : abilities_(convertFlag(abilities))
  90         {}
  91
  92         /*! \brief
  93          * Add an adapter of a type not previously added.
  94          *
  95          * Only one adapter of each type can be registered, and the order of adapters
  96          * is predefined in the underlying storage object.
  97          * Calls internal checks to make sure that the new adapter does not violate
  98          * any of the preconditions set to make an CoordinateFile object containing
  99          * the registered modules.
 100          *
 101          * \param[in] adapter unique_ptr to adapter, with container taking ownership here.
 102          * \param[in] type What kind of adapter is being added.
 103          * \throws InternalError When registering an adapter of a type already registered .
 104          * \throws InconsistentInputError When incompatible modules are added.
 105          */
 106         void addAdapter(OutputAdapterPointer adapter,
 107                         CoordinateFileFlags  type);
 108
 109         //! Get vector of all registered adapters.
 110         ArrayRef<const OutputAdapterPointer> getAdapters() { return outputAdapters_; }
 111         //! Get info if we have any registered adapters.
 112         bool isEmpty() const;
 113
 114     private:
 115         //! Array of registered modules.
 116         EnumerationArray<CoordinateFileFlags, OutputAdapterPointer> outputAdapters_;
 117         //! Construction time bitmask declaring what the OutputManager can do.
 118         unsigned long                     abilities_ = convertFlag(CoordinateFileFlags::Base);
 119 };
 120
 121 } // namespace gmx
 122
 123 #endif