IXSpace.h

#ifndef LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_SUBSPACE_IXSPACE_H
#define LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_SUBSPACE_IXSPACE_H
#include <molpro/linalg/array/ArrayHandler.h>
#include <molpro/linalg/array/Span.h>
#include <molpro/linalg/itsolv/Metric.h>
#include <molpro/linalg/itsolv/subspace/Dimensions.h>
#include <molpro/linalg/itsolv/subspace/SubspaceData.h>
#include <molpro/linalg/itsolv/wrap.h>
 
#include <memory>
#include <vector>
 
namespace molpro::linalg::itsolv {
 
class Logger;
 
namespace subspace {
 
template <class RT, class QT, class PT>
class IXSpace {
public:
  using R = RT;
  using Q = QT;
  using P = PT;
  using value_type = typename array::ArrayHandler<R, R>::value_type;
  using value_type_abs = typename array::ArrayHandler<R, R>::value_type_abs;
  IXSpace() = default;
  virtual ~IXSpace() = default;
  SubspaceData<value_type> data; 
 
  size_t size() const { return dimensions().nX(); }
 
  virtual void erase(size_t i) = 0;
  virtual void eraseq(size_t i) = 0;
  virtual void erasep(size_t i) = 0;
  virtual void erased(size_t i) = 0;
 
  virtual void update_pspace(const CVecRef<P>& params, const array::Span<value_type>& pp_action_matrix,
                             const array::Span<value_type>& pp_metric_matrix = {}) = 0;
 
  virtual void set_metric(MetricKind kind, MetricStorage storage = MetricStorage::Stored) = 0;
  virtual MetricKind metric_kind() const = 0;
  virtual MetricStorage metric_storage() const = 0;
  bool stores_metric_actions() const {
    return metric_kind() != MetricKind::Identity && metric_storage() == MetricStorage::Stored;
  }
 
  virtual void update_qspace(const CVecRef<R>& params, const CVecRef<R>& actions,
                             const CVecRef<R>& metric_actions = {}) = 0;
 
  virtual void update_dspace(VecRef<Q>& params, VecRef<Q>& actions, const VecRef<Q>& metric_actions = {},
                             const std::vector<size_t>& q_delete = {}, const Matrix<value_type>& coefficients = {}) = 0;
 
  virtual VecRef<P> paramsp() = 0;
  virtual VecRef<Q> paramsq() = 0;
  virtual VecRef<Q> actionsq() = 0;
  virtual VecRef<Q> paramsd() = 0;
  virtual VecRef<Q> actionsd() = 0;
 
  virtual CVecRef<P> paramsp() const = 0;
  virtual CVecRef<Q> paramsq() const = 0;
  virtual CVecRef<Q> actionsq() const = 0;
  virtual CVecRef<Q> paramsd() const = 0;
  virtual CVecRef<Q> actionsd() const = 0;
 
  virtual CVecRef<P> cparamsp() const = 0;
  virtual CVecRef<Q> cparamsq() const = 0;
  virtual CVecRef<Q> cactionsq() const = 0;
  virtual CVecRef<Q> cparamsd() const = 0;
  virtual CVecRef<Q> cactionsd() const = 0;
 
  virtual CVecRef<Q> cmetric_actionsq() const = 0;
  virtual CVecRef<Q> cmetric_actionsd() const = 0;
 
  virtual const Dimensions& dimensions() const = 0;
 
  virtual void set_logger(std::shared_ptr<Logger> logger) = 0;
};
 
} // namespace subspace
} // namespace molpro::linalg::itsolv
 
#endif // LINEARALGEBRA_SRC_MOLPRO_LINALG_ITSOLV_SUBSPACE_IXSPACE_H