rr.h

/*
 *  Copyright (C) 2004-2024 Edward F. Valeev
 *
 *  This file is part of Libint compiler.
 *
 *  Libint compiler is free software: you can redistribute it and/or modify
 *  it under the terms of the GNU General Public License as published by
 *  the Free Software Foundation, either version 3 of the License, or
 *  (at your option) any later version.
 *
 *  Libint compiler is distributed in the hope that it will be useful,
 *  but WITHOUT ANY WARRANTY; without even the implied warranty of
 *  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 *  GNU General Public License for more details.
 *
 *  You should have received a copy of the GNU General Public License
 *  along with Libint compiler.  If not, see <http://www.gnu.org/licenses/>.
 *
 */
 
#ifndef _libint2_src_bin_libint_rr_h_
#define _libint2_src_bin_libint_rr_h_
 
#include <bfset.h>
#include <code.h>
#include <default_params.h>
#include <exception.h>
#include <global_macros.h>
#include <polyconstr.h>
#include <singl_stack.h>
#include <smart_ptr.h>
#include <util_types.h>
 
#include <iostream>
#include <sstream>
#include <stdexcept>
#include <string>
#include <vector>
 
namespace libint2 {
 
class DGVertex;
class CodeContext;
class ImplicitDimensions;
class DirectedGraph;
template <typename V>
class AlgebraicOperator;
 
template <typename RR>
class RRStackBase : public SingletonStack<RR, std::string> {
 private:
  static std::shared_ptr<RRStackBase<RR> > rrstack_;
 
  // private constructor because it's a Singleton
  RRStackBase() : parent_type(&RR::label) {}
 
 public:
  typedef SingletonStack<RR, std::string> parent_type;
  typedef typename parent_type::data_type data_type;
  typedef typename parent_type::value_type value_type;
  typedef typename parent_type::iter_type iter_type;
  typedef typename parent_type::citer_type citer_type;
  typedef typename parent_type::InstanceID InstanceID;
 
  static std::shared_ptr<RRStackBase<RR> >& Instance() {
    if (!rrstack_) {
      std::shared_ptr<RRStackBase<RR> > tmpstack(new RRStackBase<RR>);
      rrstack_ = tmpstack;
    }
    return rrstack_;
  }
 
  virtual ~RRStackBase() {}
 
  void add(const std::shared_ptr<RRStackBase<RR> >& rrs) {
    for (citer_type it = rrs->begin(); it != rrs->end(); it++) {
      find((*it).second.second);
    }
  }
 
  void remove(const data_type& rr) { parent_type::remove(rr); }
};
 
template <typename RR>
std::shared_ptr<RRStackBase<RR> > RRStackBase<RR>::rrstack_;
 
class RecurrenceRelation
    : public std::enable_shared_from_this<RecurrenceRelation> {
 public:
  typedef RecurrenceRelation this_type;
 
  RecurrenceRelation();
  virtual ~RecurrenceRelation();
 
  virtual unsigned int num_children() const = 0;
  virtual std::shared_ptr<DGVertex> rr_child(unsigned int i) const = 0;
  virtual std::shared_ptr<DGVertex> rr_target() const = 0;
 
  typedef AlgebraicOperator<DGVertex> ExprType;
  const std::shared_ptr<ExprType>& rr_expr() const { return expr_; }
 
  virtual bool is_simple() const = 0;
  virtual bool invariant_type() const;
  virtual int partindex_direction() const { return 0; }
  virtual BraketDirection braket_direction() const {
    return BraketDirection::None;
  }
  size_t size_of_children() const;
 
  const std::string& label() const;
 
  virtual std::string description() const;
 
  virtual void generate_code(const std::shared_ptr<CodeContext>& context,
                             const std::shared_ptr<ImplicitDimensions>& dims,
                             const std::string& funcname, std::ostream& decl,
                             std::ostream& def);
 
  virtual void generate_generic_code(
      const std::shared_ptr<CodeContext>& context,
      const std::shared_ptr<ImplicitDimensions>& dims,
      const std::string& funcname, std::ostream& decl, std::ostream& def);
 
  virtual std::string spfunction_call(
      const std::shared_ptr<CodeContext>& context,
      const std::shared_ptr<ImplicitDimensions>& dims) const;
 
  unsigned int nflops() const { return nflops_; }
 
  void inst_id(
      const SingletonStack<RecurrenceRelation, std::string>::InstanceID& i) {}
 
 protected:
  unsigned int nflops_;
  mutable std::string label_;
  std::shared_ptr<ExprType> expr_;
  void add_expr(const std::shared_ptr<ExprType>& a, int minus = 1);
  virtual std::string generate_label() const = 0;
  template <class RR>
  bool register_with_rrstack() {
    // only register RRs with for shell sets
    if (TrivialBFSet<typename RR::BasisFunctionType>::result) return false;
    std::shared_ptr<RRStackBase<RecurrenceRelation> > rrstack =
        RRStackBase<RecurrenceRelation>::Instance();
    std::shared_ptr<RR> this_ptr = std::const_pointer_cast<RR, const RR>(
        std::static_pointer_cast<const RR, const RecurrenceRelation>(
            std::enable_shared_from_this<
                RecurrenceRelation>::shared_from_this()));
    rrstack->find(this_ptr);
#if DEBUG || DEBUG_CONSTRUCTION
    std::cout << "register_with_rrstack: registered " << this_ptr->label()
              << std::endl;
#endif
    return true;
  }
 
 private:
  std::shared_ptr<DirectedGraph> generate_graph_(
      const std::shared_ptr<DirectedGraph>& dg);
  void assign_symbols_(std::shared_ptr<CodeSymbols>& S);
  virtual std::shared_ptr<ImplicitDimensions> adapt_dims_(
      const std::shared_ptr<ImplicitDimensions>& dims) const;
 
  virtual bool has_generic(
      const std::shared_ptr<CompilationParameters>& cparams) const;
  virtual std::string generic_header() const;
  virtual std::string generic_instance(
      const std::shared_ptr<CodeContext>& context,
      const std::shared_ptr<CodeSymbols>& args) const;
};
 
namespace algebra {
std::shared_ptr<RecurrenceRelation::ExprType> operator+(
    const std::shared_ptr<DGVertex>& A, const std::shared_ptr<DGVertex>& B);
std::shared_ptr<RecurrenceRelation::ExprType> operator-(
    const std::shared_ptr<DGVertex>& A, const std::shared_ptr<DGVertex>& B);
std::shared_ptr<RecurrenceRelation::ExprType> operator*(
    const std::shared_ptr<DGVertex>& A, const std::shared_ptr<DGVertex>& B);
std::shared_ptr<RecurrenceRelation::ExprType> operator/(
    const std::shared_ptr<DGVertex>& A, const std::shared_ptr<DGVertex>& B);
const std::shared_ptr<RecurrenceRelation::ExprType>& operator+=(
    std::shared_ptr<RecurrenceRelation::ExprType>& A,
    const std::shared_ptr<DGVertex>& B);
const std::shared_ptr<RecurrenceRelation::ExprType>& operator-=(
    std::shared_ptr<RecurrenceRelation::ExprType>& A,
    const std::shared_ptr<DGVertex>& B);
const std::shared_ptr<RecurrenceRelation::ExprType>& operator*=(
    std::shared_ptr<RecurrenceRelation::ExprType>& A,
    const std::shared_ptr<DGVertex>& B);
const std::shared_ptr<RecurrenceRelation::ExprType>& operator/=(
    std::shared_ptr<RecurrenceRelation::ExprType>& A,
    const std::shared_ptr<DGVertex>& B);
 
class Entity;
template <class T>
class RTimeEntity;
template <class T>
class CTimeEntity;
// seems to confound Intel compiler on Linux?
// std::shared_ptr<RecurrenceRelation::ExprType> operator*(const
// std::shared_ptr<Entity>& A,
//                                                const
//                                                std::shared_ptr<DGVertex>& B);
template <typename T>
std::shared_ptr<RecurrenceRelation::ExprType> operator*(
    const std::shared_ptr<RTimeEntity<T> >& A,
    const std::shared_ptr<DGVertex>& B);
template <typename T>
std::shared_ptr<RecurrenceRelation::ExprType> operator*(
    const std::shared_ptr<CTimeEntity<T> >& A,
    const std::shared_ptr<DGVertex>& B);
};  // namespace algebra
 
// Instantiate the RRStack
typedef RRStackBase<RecurrenceRelation> RRStack;
 
};  // namespace libint2
 
// #include <vrr_11_twoprep_11.h>
// #include <hrr.h>
// #include <shell_to_ints.h>
// #include <iter.h>
 
#endif