Split off nbnxn GPU timing and staging reduction

[gromacs.git] / src / gromacs / options / optionstoragetemplate.h

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/*! \libinternal \file
 * \brief
 * Defines gmx::OptionStorageTemplate template.
 *
 * \author Teemu Murtola <teemu.murtola@gmail.com>
 * \inlibraryapi
 * \ingroup module_options
 */
#ifndef GMX_OPTIONS_OPTIONSTORAGETEMPLATE_H
#define GMX_OPTIONS_OPTIONSTORAGETEMPLATE_H

#include <memory>
#include <string>
#include <vector>

#include "gromacs/options/abstractoption.h"
#include "gromacs/options/abstractoptionstorage.h"
#include "gromacs/options/valuestore.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/variant.h"

#include "valueconverter.h"

namespace gmx
{

class Options;

/*! \libinternal \brief
 * Templated base class for constructing option value storage classes.
 *
 * \tparam T Assignable type that stores a single option value.
 *
 * Provides an implementation of the clearSet(), valueCount(), processSet(),
 * and defaultValuesAsStrings() methods of AbstractOptionStorage, as well as a
 * basic no-action implementation of processAll().  Two new virtual methods are
 * added: processSetValues() and formatSingleValue().
 * This leaves typeString(), convertValue() and formatStringValue() to be
 * implemented in derived classes.
 * processSetValues() and processAll() can also be implemented if necessary.
 *
 * Implements transaction support for adding values within a set: all calls to
 * addValue() add the value to a temporary storage, processSetValues() operates
 * on this temporary storage, and commitValues() then copies these values to
 * the real storage.  commitValues() provides a strong exception safety
 * guarantee for the process (and it only throws if it runs out of memory).
 *
 * \inlibraryapi
 * \ingroup module_options
 */
template <typename T>
class OptionStorageTemplate : public AbstractOptionStorage
{
    public:
        //! Alias for the template class for use in base classes.
        typedef OptionStorageTemplate<T> MyBase;
        //! Type of the container that contains the current values.
        typedef std::vector<T> ValueList;

        // No implementation in this class for the pure virtual methods, but
        // the declarations are still included for clarity.
        // The various copydoc calls are needed with Doxygen 1.8.10, although
        // things work without with 1.8.5...
        virtual std::string typeString() const = 0;
        //! \copydoc gmx::AbstractOptionStorage::valueCount()
        virtual int valueCount() const { return store_->valueCount(); }
        //! \copydoc gmx::AbstractOptionStorage::defaultValues()
        virtual std::vector<Variant> defaultValues() const;
        /*! \copydoc gmx::AbstractOptionStorage::defaultValuesAsStrings()
         *
         * OptionStorageTemplate implements handling of defaultValueIfSet()
         * cases and composing the vector.
         * Derived classes must implement formatSingleValue() to provide the
         * actual formatting for a value of type \p T.
         */
        virtual std::vector<std::string> defaultValuesAsStrings() const;

    protected:
        //! Smart pointer for managing the final storage interface.
        typedef std::unique_ptr<IOptionValueStore<T> > StorePointer;

        /*! \brief
         * Initializes the storage from option settings.
         *
         * \param[in] settings  Option settings.
         * \param[in] staticFlags Option flags that are always set and specify
         *      generic behavior of the option.
         * \throws  APIError if invalid settings have been provided.
         */
        template <class U>
        explicit OptionStorageTemplate(const OptionTemplate<T, U> &settings,
                                       OptionFlags staticFlags = OptionFlags());
        /*! \brief
         * Initializes the storage from base option settings.
         *
         * \param[in] settings  Option settings.
         * \param[in] store     Final storage location.
         * \throws  APIError if invalid settings have been provided.
         *
         * This constructor works for cases where there is no matching
         * OptionTemplate (e.g., EnumOption).
         */
        OptionStorageTemplate(const AbstractOption &settings,
                              StorePointer          store);

        //! \copydoc gmx::AbstractOptionStorage::clearSet()
        virtual void clearSet();
        /*! \copydoc gmx::AbstractOptionStorage::convertValue()
         *
         * Derived classes should call addValue() after they have converted
         * \p value to the storage type.  It is allowed to call addValue()
         * more than once, or not at all.  OptionsAssigner::appendValue()
         * provides the same exception safety guarantee as this method, so it
         * should be considered whether the implementation can be made strongly
         * exception safe.
         */
        virtual void convertValue(const Variant &value) = 0;
        /*! \brief
         * Processes values for a set after all have been converted.
         *
         * \param[in,out] values Valid values in the set.
         * \throws InvalidInputError if the values do not form a valid set.
         *
         * This method is called after all convertValue() calls for a set.
         * \p values contains all values that were validly converted by
         * convertValue().  The derived class may alter the values, but should
         * in such a case ensure that a correct number of values is produced.
         * If the derived class throws, all values in \p values are discarded.
         */
        virtual void processSetValues(ValueList *values)
        {
            GMX_UNUSED_VALUE(values);
        }
        /*! \copydoc gmx::AbstractOptionStorage::processSet()
         *
         * OptionStorageTemplate implements transaction support for a set of
         * values in this method (see the class description), and provides a
         * more detailed processSetValues() method that can be overridden in
         * subclasses to process the actual values.  Derived classes should
         * override that method instead of this one if set value processing is
         * necessary.
         */
        virtual void processSet();
        /*! \copydoc gmx::AbstractOptionStorage::processAll()
         *
         * The implementation in OptionStorageTemplate does nothing.
         */
        virtual void processAll()
        {
        }
        /*! \brief
         * Formats a single value as a string.
         *
         * \param[in] value  Value to format.
         * \returns   \p value formatted as a string.
         *
         * The derived class must provide this method to format values a
         * strings.  Called by defaultValuesAsStrings() to do the actual
         * formatting.
         */
        virtual std::string formatSingleValue(const T &value) const = 0;

        /*! \brief
         * Adds a value to a temporary storage.
         *
         * \param[in] value  Value to add. A copy is made.
         * \throws std::bad_alloc if out of memory.
         * \throws InvalidInputError if the maximum value count has been reached.
         *
         * Derived classes should call this function from the convertValue()
         * implementation to add converted values to the storage.
         * If the maximum value count has been reached, the value is discarded
         * and an exception is thrown.
         *
         * If adding values outside convertValue() (e.g., to set a custom
         * default value), derived classes should call clearSet() before adding
         * values (unless in the constructor) and commitValues() once all
         * values are added.
         */
        void addValue(const T &value);
        /*! \brief
         * Commits values added with addValue().
         *
         * \throws std::bad_alloc if out of memory.
         *
         * If this function succeeds, values added with addValue() since the
         * previous clearSet() are added to the storage for the option.
         * Only throws in out-of-memory conditions, and provides the strong
         * exception safety guarantee as long as the copy constructor of `T`
         * does not throw.
         *
         * See addValue() for cases where this method should be used in derived
         * classes.
         *
         * Calls clearSet() if it is successful.
         */
        void commitValues();

        /*! \brief
         * Sets the default value for the option.
         *
         * \param[in] value  Default value to set.
         * \throws    std::bad_alloc if out of memory.
         *
         * This method can be used from the derived class constructor to
         * programmatically set a default value.
         */
        void setDefaultValue(const T &value);
        /*! \brief
         * Sets the default value if set for the option.
         *
         * \param[in] value  Default value to set.
         * \throws    std::bad_alloc if out of memory.
         *
         * This method can be used from the derived class constructor to
         * programmatically set a default value.
         */
        void setDefaultValueIfSet(const T &value);

        /*! \brief
         * Provides derived classes access to the current list of values.
         *
         * The non-const variant should only be used from processAll() in
         * derived classes if necessary.
         */
        ArrayRef<T>       values() { return store_->values(); }
        //! Provides derived classes access to the current list of values.
        ArrayRef<const T> values() const { return store_->values(); }

    private:
        //! Creates the internal storage object for final values..
        StorePointer createStore(ValueList *storeVector,
                                 T *store, int *storeCount,
                                 int initialCount);

        /*! \brief
         * Vector for temporary storage of values before commitSet() is called.
         */
        ValueList               setValues_;
        //! Final storage for option values.
        const StorePointer      store_;
        // This never releases ownership.
        std::unique_ptr<T>      defaultValueIfSet_;

        // Copy and assign disallowed by base.
};


/*! \libinternal \brief
 * Simplified option storage template for options that have one-to-one value
 * conversion.
 *
 * \tparam T Assignable type that stores a single option value.
 *
 * To implement an option that always map a single input value to a single
 * output value, derive from this class instead of OptionStorageTemplate.
 * This class implements convertValue() in terms of two new virtual methods:
 * initConverter() and processValue().
 *
 * To specify how different types of values need to be converted, implement
 * initConverter().
 * To do common post-processing of the values after conversion, but before they
 * are added to the underlying storage, override processValue().
 *
 * \inlibraryapi
 * \ingroup module_options
 */
template <typename T>
class OptionStorageTemplateSimple : public OptionStorageTemplate<T>
{
    public:
        //! Alias for the template class for use in base classes.
        typedef OptionStorageTemplateSimple<T> MyBase;

    protected:
        //! Alias for the converter parameter type for initConverter().
        typedef OptionValueConverterSimple<T> ConverterType;

        //! Initializes the storage.
        template <class U>
        explicit OptionStorageTemplateSimple(const OptionTemplate<T, U> &settings,
                                             OptionFlags staticFlags = OptionFlags())
            : OptionStorageTemplate<T>(settings, staticFlags), initialized_(false)
        {
        }
        //! Initializes the storage.
        OptionStorageTemplateSimple(const AbstractOption                            &settings,
                                    typename OptionStorageTemplate<T>::StorePointer  store)
            : OptionStorageTemplate<T>(settings, std::move(store)), initialized_(false)
        {
        }

        virtual std::vector<Variant>
        normalizeValues(const std::vector<Variant> &values) const
        {
            const_cast<MyBase *>(this)->ensureConverterInitialized();
            std::vector<Variant> result;
            for (const auto &value : values)
            {
                result.push_back(normalizeValue(converter_.convert(value)));
            }
            return result;
        }

        /*! \brief
         * Specifies how different types are converted.
         *
         * See OptionValueConverterSimple for more details.
         */
        virtual void initConverter(ConverterType *converter) = 0;
        /*! \brief
         * Post-processes a value after conversion to the output type.
         *
         * \param[in] value  Value after conversion.
         * \returns   Value to store for the option.
         *
         * The default implementation only provides an identity mapping.
         */
        virtual T processValue(const T &value) const
        {
            return value;
        }
        /*! \brief
         * Converts a single value to normalized type.
         *
         * \param[in] value  Value after conversion.
         * \returns   Value to store for the option.
         *
         * This can be overridden to serialize a different type than `T`
         * when using the option with KeyValueTreeObject.
         */
        virtual Variant normalizeValue(const T &value) const
        {
            return Variant::create<T>(processValue(value));
        }

    private:
        virtual void convertValue(const Variant &variant)
        {
            ensureConverterInitialized();
            this->addValue(processValue(converter_.convert(variant)));
        }
        void ensureConverterInitialized()
        {
            if (!initialized_)
            {
                initConverter(&converter_);
                initialized_ = true;
            }
        }

        ConverterType  converter_;
        bool           initialized_;
};


/********************************************************************
 * OptionStorageTemplate implementation
 */

template <typename T>
template <class U>
OptionStorageTemplate<T>::OptionStorageTemplate(const OptionTemplate<T, U> &settings,
                                                OptionFlags staticFlags)
    : AbstractOptionStorage(settings, staticFlags),
      store_(createStore(settings.storeVector_,
                         settings.store_, settings.countptr_,
                         (settings.isVector() ?
                          settings.maxValueCount_ : settings.minValueCount_)))
{
    if (hasFlag(efOption_NoDefaultValue)
        && (settings.defaultValue_ != nullptr
            || settings.defaultValueIfSet_ != nullptr))
    {
        GMX_THROW(APIError("Option does not support default value, but one is set"));
    }
    if (!hasFlag(efOption_NoDefaultValue))
    {
        setFlag(efOption_HasDefaultValue);
        if (settings.defaultValue_ != nullptr)
        {
            setDefaultValue(*settings.defaultValue_);
        }
        if (settings.defaultValueIfSet_ != nullptr)
        {
            setDefaultValueIfSet(*settings.defaultValueIfSet_);
        }
    }
}


template <typename T>
OptionStorageTemplate<T>::OptionStorageTemplate(const AbstractOption &settings,
                                                StorePointer          store)
    : AbstractOptionStorage(settings, OptionFlags()), store_(std::move(store))
{
}


template <typename T>
std::unique_ptr<IOptionValueStore<T> > OptionStorageTemplate<T>::createStore(
        ValueList *storeVector, T *store, int *storeCount, int initialCount)
{
    if (storeVector != nullptr)
    {
        GMX_RELEASE_ASSERT(store == nullptr && storeCount == nullptr,
                           "Cannot specify more than one storage location");
        return StorePointer(new OptionValueStoreVector<T>(storeVector));
    }
    else if (store != nullptr)
    {
        // If the maximum number of values is not known, storage to
        // caller-allocated memory is unsafe.
        if (maxValueCount() < 0 || hasFlag(efOption_MultipleTimes))
        {
            GMX_THROW(APIError("Cannot set user-allocated storage for arbitrary number of values"));
        }
        if (storeCount == nullptr && !isVector() && minValueCount() != maxValueCount())
        {
            GMX_THROW(APIError("Count storage is not set, although the number of produced values is not known"));
        }
        if (hasFlag(efOption_NoDefaultValue))
        {
            initialCount = 0;
        }
        return StorePointer(new OptionValueStorePlain<T>(store, storeCount, initialCount));
    }
    GMX_RELEASE_ASSERT(storeCount == nullptr,
                       "Cannot specify count storage without value storage");
    return StorePointer(new OptionValueStoreNull<T>());
}


template <typename T>
std::vector<Variant> OptionStorageTemplate<T>::defaultValues() const
{
    std::vector<Variant> result;
    if (hasFlag(efOption_NoDefaultValue))
    {
        return result;
    }
    GMX_RELEASE_ASSERT(hasFlag(efOption_HasDefaultValue),
                       "Current option implementation can only provide default values before assignment");
    for (const auto &value : values())
    {
        result.push_back(Variant::create<T>(value));
    }
    return normalizeValues(result);
}


template <typename T>
std::vector<std::string> OptionStorageTemplate<T>::defaultValuesAsStrings() const
{
    std::vector<std::string> result;
    if (hasFlag(efOption_NoDefaultValue))
    {
        return result;
    }
    GMX_RELEASE_ASSERT(hasFlag(efOption_HasDefaultValue),
                       "Current option implementation can only provide default values before assignment");
    for (const auto &value : values())
    {
        result.push_back(formatSingleValue(value));
    }
    if (result.empty() || (result.size() == 1 && result[0].empty()))
    {
        result.clear();
        if (defaultValueIfSet_.get() != nullptr)
        {
            result.push_back(formatSingleValue(*defaultValueIfSet_));
        }
    }
    return result;
}


template <typename T>
void OptionStorageTemplate<T>::clearSet()
{
    setValues_.clear();
}


template <typename T>
void OptionStorageTemplate<T>::processSet()
{
    processSetValues(&setValues_);
    if (setValues_.empty() && defaultValueIfSet_.get() != nullptr)
    {
        addValue(*defaultValueIfSet_);
        setFlag(efOption_HasDefaultValue);
    }
    else
    {
        clearFlag(efOption_HasDefaultValue);
    }
    if (!hasFlag(efOption_DontCheckMinimumCount)
        && setValues_.size() < static_cast<size_t>(minValueCount()))
    {
        GMX_THROW(InvalidInputError("Too few (valid) values"));
    }
    commitValues();
}


template <typename T>
void OptionStorageTemplate<T>::addValue(const T &value)
{
    if (maxValueCount() >= 0
        && setValues_.size() >= static_cast<size_t>(maxValueCount()))
    {
        GMX_THROW(InvalidInputError("Too many values"));
    }
    setValues_.push_back(value);
}


template <typename T>
void OptionStorageTemplate<T>::commitValues()
{
    if (hasFlag(efOption_ClearOnNextSet))
    {
        store_->clear();
    }
    store_->reserve(setValues_.size());
    for (T value : setValues_)
    {
        store_->append(value);
    }
    clearSet();
}


template <typename T>
void OptionStorageTemplate<T>::setDefaultValue(const T &value)
{
    if (hasFlag(efOption_NoDefaultValue))
    {
        GMX_THROW(APIError("Option does not support default value, but one is set"));
    }
    if (hasFlag(efOption_HasDefaultValue))
    {
        setFlag(efOption_ExplicitDefaultValue);
        store_->clear();
        store_->append(value);
    }
}


template <typename T>
void OptionStorageTemplate<T>::setDefaultValueIfSet(const T &value)
{
    if (hasFlag(efOption_NoDefaultValue))
    {
        GMX_THROW(APIError("Option does not support default value, but one is set"));
    }
    if (hasFlag(efOption_MultipleTimes))
    {
        GMX_THROW(APIError("defaultValueIfSet() is not supported with allowMultiple()"));
    }
    setFlag(efOption_DefaultValueIfSetExists);
    defaultValueIfSet_.reset(new T(value));
}

} // namespace gmx

#endif