rr.h

/*
 *  Copyright (C) 2004-2021 Edward F. Valeev
 *
 *  This file is part of Libint.
 *
 *  Libint 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 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.  If not, see <http://www.gnu.org/licenses/>.
 *
 */
 
#ifndef _libint2_src_bin_libint_rr_h_
#define _libint2_src_bin_libint_rr_h_
 
#include <iostream>
#include <sstream>
#include <string>
#include <vector>
#include <stdexcept>
#include <exception.h>
#include <bfset.h>
#include <smart_ptr.h>
#include <polyconstr.h>
#include <singl_stack.h>
#include <code.h>
#include <default_params.h>
#include <util_types.h>
#include <global_macros.h>
 
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 SafePtr<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 SafePtr<RRStackBase<RR> >& Instance() {
      if (!rrstack_) {
        SafePtr<RRStackBase<RR> > tmpstack(new RRStackBase<RR>);
        rrstack_ = tmpstack;
      }
      return rrstack_;
    }
 
    virtual ~RRStackBase() {}
 
    void add(const SafePtr<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>
  SafePtr<RRStackBase<RR> > RRStackBase<RR>::rrstack_;
 
 
  class RecurrenceRelation : public EnableSafePtrFromThis<RecurrenceRelation> {
  public:
    typedef RecurrenceRelation this_type;
 
    RecurrenceRelation();
    virtual ~RecurrenceRelation();
 
    virtual unsigned int num_children() const =0;
    virtual SafePtr<DGVertex> rr_child(unsigned int i) const =0;
    virtual SafePtr<DGVertex> rr_target() const =0;
 
    typedef AlgebraicOperator<DGVertex> ExprType;
    const SafePtr<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 SafePtr<CodeContext>& context,
                               const SafePtr<ImplicitDimensions>& dims,
                               const std::string& funcname,
                               std::ostream& decl, std::ostream& def);
 
    virtual void generate_generic_code(const SafePtr<CodeContext>& context,
                                       const SafePtr<ImplicitDimensions>& dims,
                                       const std::string& funcname,
                                       std::ostream& decl, std::ostream& def);
 
    virtual std::string spfunction_call(const SafePtr<CodeContext>& context,
                                        const SafePtr<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_;
    SafePtr<ExprType> expr_;
    void add_expr(const SafePtr<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;
      SafePtr<RRStackBase<RecurrenceRelation> > rrstack = RRStackBase<RecurrenceRelation>::Instance();
      SafePtr<RR> this_ptr =
        const_pointer_cast<RR,const RR>(
          static_pointer_cast<const RR, const RecurrenceRelation>(
            EnableSafePtrFromThis<RecurrenceRelation>::SafePtr_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:
 
    SafePtr<DirectedGraph> generate_graph_(const SafePtr<DirectedGraph>& dg);
    void assign_symbols_(SafePtr<CodeSymbols>& S);
    virtual SafePtr<ImplicitDimensions> adapt_dims_(const SafePtr<ImplicitDimensions>& dims) const;
 
    virtual bool has_generic(const SafePtr<CompilationParameters>& cparams) const;
    virtual std::string generic_header() const;
    virtual std::string generic_instance(const SafePtr<CodeContext>& context, const SafePtr<CodeSymbols>& args) const;
 
  };
 
  namespace algebra {
    SafePtr<RecurrenceRelation::ExprType> operator+(const SafePtr<DGVertex>& A,
                                                    const SafePtr<DGVertex>& B);
    SafePtr<RecurrenceRelation::ExprType> operator-(const SafePtr<DGVertex>& A,
                                                    const SafePtr<DGVertex>& B);
    SafePtr<RecurrenceRelation::ExprType> operator*(const SafePtr<DGVertex>& A,
                                                    const SafePtr<DGVertex>& B);
    SafePtr<RecurrenceRelation::ExprType> operator/(const SafePtr<DGVertex>& A,
                                                    const SafePtr<DGVertex>& B);
    const SafePtr<RecurrenceRelation::ExprType>& operator+=(SafePtr<RecurrenceRelation::ExprType>& A,
                                                            const SafePtr<DGVertex>& B);
    const SafePtr<RecurrenceRelation::ExprType>& operator-=(SafePtr<RecurrenceRelation::ExprType>& A,
                                                            const SafePtr<DGVertex>& B);
    const SafePtr<RecurrenceRelation::ExprType>& operator*=(SafePtr<RecurrenceRelation::ExprType>& A,
                                                            const SafePtr<DGVertex>& B);
    const SafePtr<RecurrenceRelation::ExprType>& operator/=(SafePtr<RecurrenceRelation::ExprType>& A,
                                                            const SafePtr<DGVertex>& B);
 
    class Entity;
    template <class T> class RTimeEntity;
    template <class T> class CTimeEntity;
    // seems to confound Intel compiler on Linux?
    //SafePtr<RecurrenceRelation::ExprType> operator*(const SafePtr<Entity>& A,
    //                                                const SafePtr<DGVertex>& B);
    template<typename T> SafePtr<RecurrenceRelation::ExprType> operator*(const SafePtr<RTimeEntity<T> >& A,
                                                                         const SafePtr<DGVertex>& B);
    template<typename T> SafePtr<RecurrenceRelation::ExprType> operator*(const SafePtr<CTimeEntity<T> >& A,
                                                                         const SafePtr<DGVertex>& B);
  };
 
  // Instantiate the RRStack
  typedef RRStackBase<RecurrenceRelation> RRStack;
 
};
 
//#include <vrr_11_twoprep_11.h>
//#include <hrr.h>
//#include <shell_to_ints.h>
//#include <iter.h>
 
#endif