class.cc

大型并行量子化学软件；支持密度泛函（DFT）。可以进行各种量子化学计算。支持CHARMM并行计算。非常具有应用价值。

//
// class.cc
//
// Copyright (C) 1996 Limit Point Systems, Inc.
//
// Author: Curtis Janssen <[e-mail]>
// Maintainer: LPS
//
// This file is part of the SC Toolkit.
//
// The SC Toolkit is free software; you can redistribute it and/or modify
// it under the terms of the GNU Library General Public License as published by
// the Free Software Foundation; either version 2, or (at your option)
// any later version.
//
// The SC Toolkit 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 Library General Public License for more details.
//
// You should have received a copy of the GNU Library General Public License
// along with the SC Toolkit; see the file COPYING.LIB.  If not, write to
// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
//
// The U.S. Government is granted a limited license as per AL 91-7.
//

#ifdef __GNUG__
#pragma implementation
#endif

#ifdef HAVE_CONFIG_H
#include <scconfig.h>
#endif

#include <string>

#include <stdlib.h>
#include <string.h>
#if defined(HAVE_DLFCN_H)
#include <dlfcn.h>
#endif // HAVE_DLFCN_H

#include <util/misc/formio.h>

#include <util/class/class.h>

using namespace std;
using namespace sc;

std::map<std::string,ClassDescP>* ClassDesc::all_ = 0;
std::map<type_info_key,ClassDescP>* ClassDesc::type_info_all_ = 0;
char * ClassDesc::classlib_search_path_ = 0;
std::set<std::string>* ClassDesc::unresolved_parents_ = 0;

/////////////////////////////////////////////////////////////////

ParentClass::ParentClass(ClassDesc*classdesc,Access access,int is_virtual):
  _access(access),
  _is_virtual(is_virtual),
  _classdesc(classdesc)
{
}

ParentClass::ParentClass(const ParentClass&p):
  _access(p._access),
  _is_virtual(p._is_virtual),
  _classdesc(p._classdesc)
{
}

ParentClass::~ParentClass()
{
}

int ParentClass::is_virtual() const
{
  return _is_virtual;
}

const ClassDesc* ParentClass::classdesc() const
{
  return _classdesc;
}

void ParentClass::change_classdesc(ClassDesc*n)
{
  _classdesc = n;
}

/////////////////////////////////////////////////////////////////

ParentClasses::ParentClasses():
  _n(0),
  _classes(0)
{
}

void
ParentClasses::init(const char* parents)
{
  // if parents is empty then we are done
  if (!parents || strlen(parents) == 0) return;

  char* tokens = ::strcpy(new char[strlen(parents)+1],parents);
  const char* whitesp = "\t\n,() ";
  char* token;
  int is_virtual = 0;
  ParentClass::Access access = ParentClass::Private;
  for (token = ::strtok(tokens,whitesp);
       token;
       token = ::strtok(0,whitesp)) {
      if (!strcmp(token,"virtual")) {
          is_virtual = 1;
        }
      else if (!strcmp(token,"public")) {
          access = ParentClass::Public;
        }
      else if (!strcmp(token,"protected")) {
          access = ParentClass::Protected;
        }
      else if (!strcmp(token,"private")) {
          access = ParentClass::Private;
        }
      else {
          std::string parentkey(token);
          // if the parents class desc does not exist create a temporary
          // the temporary will be incorrect,because it does not have the
          // parent's parents
          if (ClassDesc::all().find(parentkey) == ClassDesc::all().end()) {
              ClassDesc *tmp_classdesc = new ClassDesc(token);
              ClassDesc::all()[parentkey] = tmp_classdesc;
              if (ClassDesc::unresolved_parents_ == 0) {
                  ClassDesc::unresolved_parents_ = new std::set<std::string>;
                }
              ClassDesc::unresolved_parents_->insert(token);
            }
          ParentClass* p = new ParentClass(ClassDesc::all()[parentkey],
                                           access,
                                           is_virtual);
          add(p);
          access = ParentClass::Private;
          is_virtual = 0;
        }
    }
  delete[] tokens;
  
}

ParentClasses::~ParentClasses()
{
  for (int i=0; i<_n; i++) delete _classes[i];
  
  if (_classes) delete[] _classes;
  _classes = 0;
  _n = 0;
}

void
ParentClasses::add(ParentClass*p)
{
  ParentClass** newpp = new ParentClass*[_n+1];
  for (int i=0; i<_n; i++) newpp[i] = _classes[i];
  newpp[_n] = p;
  _n++;
  delete[] _classes;
  _classes = newpp;
}

void
ParentClasses::change_parent(ClassDesc*oldcd,ClassDesc*newcd)
{
  for (int i=0; i<_n; i++) {
      if (parent(i).classdesc() == oldcd) parent(i).change_classdesc(newcd);
    }
}

////////////////////////////////////////////////////////////////////////

type_info_key&
type_info_key::operator=(const type_info_key&t)
{
  ti_ = t.ti_;
  return *this;
}

int
type_info_key::operator==(const type_info_key&t) const
{
  if (!ti_ && !t.ti_) return 1;
  if (!ti_ || !t.ti_) return 0;

  return *ti_ == *t.ti_;
}

int
type_info_key::operator<(const type_info_key&t) const
{
  if (!ti_ && !t.ti_) return 0;
  if (!ti_) return 0;
  if (!t.ti_) return 1;

  return ti_->before(*t.ti_);
}

int
type_info_key::cmp(const type_info_key&t) const
{
  if (*this == t) return 0;
  if (*this < t) return -1;
  return 1;
}

////////////////////////////////////////////////////////////////////////

ClassDesc::ClassDesc(const type_info &ti,
                     const char* name, int version,
                     const char* parents,
                     DescribedClass* (*ctor)(),
                     DescribedClass* (*keyvalctor)(const Ref<KeyVal>&),
                     DescribedClass* (*stateinctor)(StateIn&)
                     )
{
  if (!type_info_all_) {
      type_info_all_ = new std::map<type_info_key,ClassDescP>;
    }
  type_info_key key(&ti);
  if (type_info_all_->find(key) != type_info_all_->end()) {
      ExEnv::err0() << indent
                   << "ERROR: duplicate ClassDesc detected for class "
                   << name << " type_info name = " << ti.name() << endl;
      abort();
    }
  else {
      (*type_info_all_)[key] = this;
    }

  // test the version number to see if it is valid
  if (version <= 0) {
      ExEnv::errn() << "ERROR: ClassDesc ctor: version <= 0" << endl;
      exit(1);
    }

  init(name,version,parents,ctor,keyvalctor,stateinctor);
}

ClassDesc::ClassDesc(const char* name)
{
  init(name, 0);
}

void
ClassDesc::init(const char* name, int version,
                const char* parents,
                DescribedClass* (*ctor)(),
                DescribedClass* (*keyvalctor)(const Ref<KeyVal>&),
                DescribedClass* (*stateinctor)(StateIn&))
{
  classname_ = 0;
  version_ = version;
  children_ = 0;
  ctor_ = ctor;
  keyvalctor_ = keyvalctor;
  stateinctor_ = stateinctor;

  // make sure that the static members have been initialized
  if (!all_) {
      all_ = new std::map<std::string,ClassDescP>;
      const char* tmp = getenv("LD_LIBRARY_PATH");
      if (tmp) {
          // Needed for misbehaving getenv's.
          if (strncmp(tmp, "LD_LIBRARY_PATH=", 16) == 0) {
              tmp = ::strchr(tmp,'=');
              tmp++;
            }
        }
      else tmp = ".";
      classlib_search_path_ = ::strcpy(new char[strlen(tmp)+1],tmp);
    }
  
  // see if I'm already in the list
  ClassDesc *me = name_to_class_desc(name);
  int temp_copy_present = 0;
  if (me && me->version() != 0) {
      ExEnv::err0()
          << indent
          << "ERROR: ClassDesc ctor: ClassDesc already initialized for "
          << name << endl;
      abort();
    }
  else if (me) {
      temp_copy_present = 1;
    }

  parents_.init(parents);

  if (!temp_copy_present && name_to_class_desc(name)) {
      // I wasn't in the list before, but am in it now
      ExEnv::err0()
          << indent
          << "ERROR: ClassDesc ctor: inheritance loop detected for "
          << name << endl;
      abort();
    }

  classname_ = ::strcpy(new char[strlen(name)+1],name);

  std::string key(name);

  // let each of the parents know that this is a child
  for (int i=0; i<parents_.n(); i++) {
      std::string parentkey(parents_[i].classdesc()->name());
      if (!(*all_)[parentkey]->children_)
        (*all_)[parentkey]->children_ = new std::set<std::string>;
      // let the parents know about the child
      ((*all_)[parentkey]->children_)->insert(key);
    }

  // if this class is aleady in all_, then it was put there by a child
  // preserve children info, destroy the old entry, and put this there
  if (all_->find(key) != all_->end()) {
      children_ = (*all_)[key]->children_;
      (*all_)[key]->children_ = 0;

      if (!children_) {
          ExEnv::err0()
              << indent
              << "ERROR: ClassDesc: inconsistency in initialization for "