keyval.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。

  return key_describedclassvalue(newkey,def);
  }

// For arrays:
int KeyVal::exists(const char* key,int n1,int n2)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_exists(newkey);
  }
int KeyVal::count(const char* key,int n1,int n2)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_count(newkey);
  }
double KeyVal::doublevalue(const char* key,int n1,int n2,
                           const KeyValValue& def)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_doublevalue(newkey,def);
  }
float KeyVal::floatvalue(const char* key,int n1,int n2,
                         const KeyValValue& def)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_floatvalue(newkey,def);
  }
char KeyVal::charvalue(const char* key,int n1,int n2,
                       const KeyValValue& def)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_charvalue(newkey,def);
  }
int KeyVal::intvalue(const char* key,int n1,int n2,
                     const KeyValValue& def)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_intvalue(newkey,def);
  }
size_t KeyVal::sizevalue(const char* key,int n1,int n2,
                         const KeyValValue& def)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_sizevalue(newkey,def);
  }
int KeyVal::booleanvalue(const char* key,int n1,int n2,
                         const KeyValValue& def)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_booleanvalue(newkey,def);
  }
char* KeyVal::pcharvalue(const char* key,int n1,int n2,
                         const KeyValValue& def)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_pcharvalue(newkey,def);
  }
std::string KeyVal::stringvalue(const char* key,int n1,int n2,
                                const KeyValValue& def)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_stringvalue(newkey,def);
  }
Ref<DescribedClass> KeyVal::describedclassvalue(const char* key,int n1,int n2,
                                              const KeyValValue& def)
  {
  char newkey[MaxKeywordLength];
  getnewkey(newkey,key,n1,n2);
  return key_describedclassvalue(newkey,def);
  }

// new and improved for the intel, we can once again use va_arg(), so the
// 12 arg limit is gone.  Unfortunately we can't use new here, so the vals
// array is hardwired to 80.  That should suffice in the foreseeable future
//
#define getnewvakey(newkey,key,narg) \
  strcpy(newkey,key); \
  if(narg!=0) { \
    int vals[80]; \
    if(narg > 80) { \
        ExEnv::errn() << "keyval.cc: getnewvakey: too many varargs...sorry" << endl; \
        exit(1); \
      } \
    va_start(args,narg); \
    int i; \
    for(i=0; i < narg; i++) \
      vals[i] = va_arg(args,int); \
    va_end(args); \
    for(i=0; i < narg; i++)  \
      sprintf((newkey+strlen(newkey)),":%d",vals[i]); \
    }

// For all else:
int KeyVal::Va_exists(const char* key,int narg,...)
  {
  va_list args;
  char newkey[MaxKeywordLength];
  getnewvakey(newkey,key,narg);
  return key_exists(newkey);
  }
int KeyVal::Va_count(const char* key,int narg,...)
  {
  va_list args;
  char newkey[MaxKeywordLength];
  getnewvakey(newkey,key,narg);
  return key_count(newkey);
  }
double KeyVal::Va_doublevalue(const char* key,int narg,...)
  {
  va_list args;
  char newkey[MaxKeywordLength];
  getnewvakey(newkey,key,narg);
  return key_doublevalue(newkey,KeyValValuedouble());
  }
float KeyVal::Va_floatvalue(const char* key,int narg,...)
  {
  va_list args;
  char newkey[MaxKeywordLength];
  getnewvakey(newkey,key,narg);
  return key_floatvalue(newkey,KeyValValuefloat());
  }
char KeyVal::Va_charvalue(const char* key,int narg,...)
  {
  va_list args;
  char newkey[MaxKeywordLength];
  getnewvakey(newkey,key,narg);
  return key_charvalue(newkey,KeyValValuechar());
  }
int KeyVal::Va_intvalue(const char* key,int narg,...)
  {
  va_list args;
  char newkey[MaxKeywordLength];
  getnewvakey(newkey,key,narg);
  return key_intvalue(newkey,KeyValValueint());
  }
size_t KeyVal::Va_sizevalue(const char* key,int narg,...)
  {
  va_list args;
  char newkey[MaxKeywordLength];
  getnewvakey(newkey,key,narg);
  return key_sizevalue(newkey,KeyValValuesize());
  }
char* KeyVal::Va_pcharvalue(const char* key,int narg,...)
  {
  va_list args;
  char newkey[MaxKeywordLength];
  getnewvakey(newkey,key,narg);
  return key_pcharvalue(newkey,KeyValValuepchar());
  }
std::string KeyVal::Va_stringvalue(const char* key,int narg,...)
  {
  va_list args;
  char newkey[MaxKeywordLength];
  getnewvakey(newkey,key,narg);
  return key_stringvalue(newkey,KeyValValuestring());
  }
Ref<DescribedClass> KeyVal::Va_describedclassvalue(const char* key,int narg,...)
  {
  va_list args;
  char newkey[MaxKeywordLength];
  getnewvakey(newkey,key,narg);
  return key_describedclassvalue(newkey,KeyValValueRefDescribedClass());
  }

void KeyVal::errortrace(ostream&fp)
{
  fp << indent << "KeyVal: error: \"" << errormsg() << "\"" << endl;
}

void KeyVal::dump(ostream&fp)
{
  fp << indent << "KeyVal: error: \"" << errormsg() << "\"" << endl;
}

void KeyVal::print_unseen(ostream&fp)
{
  fp << indent << "(this keyval does not record unread variables)" << endl;
}

int KeyVal::have_unseen()
{
  return -1;
}

void
KeyVal::seterror(KeyValValue::KeyValValueError e)
{
  if (e == KeyValValue::OK) {
      seterror(KeyVal::OK);
    }
  else if (e == KeyValValue::WrongType) {
      seterror(KeyVal::WrongType);
    }
  else {
      // shouldn't get here
      seterror(KeyVal::OperationFailed);
    }
}

// here are some inline candidates that are here for now because
// they were making executables big
void
KeyVal::seterror(KeyValError err)
{
  errcod = err;
}

int
KeyVal::exists(int i)
{
  return exists((const char*)0,i);
}

int
KeyVal::count(int i)
{
  return count((const char*)0,i);
}

int
KeyVal::booleanvalue(int i,const KeyValValue& def)
{
  return booleanvalue((const char*)0,i,def);
}

double
KeyVal::doublevalue(int i,const KeyValValue& def)
{
  return doublevalue((const char*)0,i,def);
}

float
KeyVal::floatvalue(int i,const KeyValValue& def)
{
  return floatvalue((const char*)0,i,def);
}

char
KeyVal::charvalue(int i,const KeyValValue& def)
{
  return charvalue((const char*)0,i,def);
}

int
KeyVal::intvalue(int i,const KeyValValue& def)
{
  return intvalue((const char*)0,i,def);
}

size_t
KeyVal::sizevalue(int i,const KeyValValue& def)
{
  return sizevalue((const char*)0,i,def);
}

char*
KeyVal::pcharvalue(int i,const KeyValValue& def)
{
  return pcharvalue((const char*)0,i,def);
}

std::string
KeyVal::stringvalue(int i,const KeyValValue& def)
{
  return stringvalue((const char*)0,i,def);
}

Ref<DescribedClass>
KeyVal::describedclassvalue(int i,const KeyValValue& def)
{
  return describedclassvalue((const char*)0,i,def);
}

int
KeyVal::exists(int i,int j)
{
  return exists((const char*)0,i,j);
}

int
KeyVal::count(int i,int j)
{
  return count((const char*)0,i,j);
}

int
KeyVal::booleanvalue(int i,int j,const KeyValValue& def)
{
  return booleanvalue((const char*)0,i,j,def);
}

double
KeyVal::doublevalue(int i,int j,const KeyValValue& def)
{
  return doublevalue((const char*)0,i,j,def);
}

float
KeyVal::floatvalue(int i,int j,const KeyValValue& def)
{
  return floatvalue((const char*)0,i,j,def);
}

char
KeyVal::charvalue(int i,int j,const KeyValValue& def)
{
  return charvalue((const char*)0,i,j,def);
}

int
KeyVal::intvalue(int i,int j,const KeyValValue& def)
{
  return intvalue((const char*)0,i,j,def);
}

size_t
KeyVal::sizevalue(int i,int j,const KeyValValue& def)
{
  return sizevalue((const char*)0,i,j,def);
}

char*
KeyVal::pcharvalue(int i,int j,const KeyValValue& def)
{
  return pcharvalue((const char*)0,i,j,def);
}

std::string
KeyVal::stringvalue(int i,int j,const KeyValValue& def)
{
  return stringvalue((const char*)0,i,j,def);
}

Ref<DescribedClass>
KeyVal::describedclassvalue(int i,int j,const KeyValValue& def)
{
  return describedclassvalue((const char*)0,i,j,def);
}

KeyVal::KeyValError
KeyVal::error()
{
  return errcod;
}

const char*
KeyVal::errormsg()
{
  return errormsg(errcod);
}