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Дата изменения: Thu Jul 4 20:03:27 2002
Дата индексирования: Tue Oct 2 15:43:39 2012
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Поисковые слова: molecules
Simon Jeffery's Software Store: TAP chemical functions

Simon Jeffery's Software Store

TAP: elementary chemical functions.

Quick Reference

SUBROUTINE TAP_ESYMB ( IZ, SYMBOL, STATUS ) Return the element symbol.
SUBROUTINE TAP_ENAME ( IZ, NAME, STATUS ) Return the element name.
FUNCTION TAP_EMASS ( IZ ) Return the mean atomic weight of an element.
FUNCTION TAP_ZELEM ( NAME ) Return the atomic number of an element.
FUNCTION TAP_AELEM ( NAME ) Return the mean atomic weight of an element.

Long Reference


DOUBLE PRECISION FUNCTION TAP_AELEM ( NAME )

!  Purpose:
!     Return the mean atomic weight of an element.

!  Invocation:
!     RESULT = TAP_AELEM( NAME )

!  Description:
!     The mean atomic weight of the element associated with the given name is
!     returned. Either the element name or its symbol may be given via
!     the NAME argument. If no element can be associated with the given
!     name or symbol, a value TAP__INULL is returned. The atomic weight
!     assumes solar system relative nuclide abundances.

!  Arguments:
!     NAME = CHARACTER * ( * ) (Given)
!        The name or symbol of the element for which A is required.

!  Returned Value:
!     TAP_AELEM = DOUBLE PRECISION
!        The mean atomic weight, A, of the given element.

SUBROUTINE TAP_ESYMB ( IZ, SYMBOL, STATUS )

!  Purpose:
!     Return the element symbol.

!  Invocation:
!     CALL TAP_ESYMB ( IZ, SYMBOL, STATUS )

!  Description:
!     The element symbol associated with the given atomic number is
!     returned. If the atomic number is not valid, i.e. out of range,
!     the symbol string is returned empty and a status value of
!     TAP__BADZ is returned.

!  Arguments:
!     IZ = INTEGER (Given)
!        The atomic number.
!     SYMBOL = CHARACTER * ( * ) (Returned)
!        The associated element symbol.
!     STATUS = INTEGER (Given and Returned)
!        The global status.

SUBROUTINE TAP_ENAME ( IZ, NAME, STATUS )

!  Purpose:
!     Return the element name.

!  Invocation:
!     CALL TAP_ENAME ( IZ, NAME, STATUS )

!  Description:
!     The element name associated with the given atomic number is
!     returned. If the atomic number is not valid, i.e. out of range,
!     the name string is returned empty and a status value of
!     TAP__BADZ is returned.

!  Arguments:
!     IZ = INTEGER (Given)
!        The atomic number.
!     NAME = CHARACTER * ( * ) (Returned)
!        The associated element name.
!     STATUS = INTEGER (Given and Returned)
!        The global status.

INTEGER FUNCTION TAP_ZELEM ( NAME )

!  Purpose:
!     Return the atomic number of an element.

!  Invocation:
!     RESULT = TAP_ZELEM( NAME )

!  Description:
!     The atomic number ot element associated with the given name is
!     returned. Either the element name or its symbol may be given via
!     the NAME argument. If no element can be associated with the given
!     name or symbol, a value TAP__INULL is returned.

!  Arguments:
!     NAME = CHARACTER * ( * ) (Given)
!        The name or symbol of the element fo rwhich Z is required.

!  Returned Value:
!     TAP_ZELEM = INTEGER
!        The atomic number, Z, of the given element.

DOUBLE PRECISION FUNCTION TAP_EMASS ( IZ )

!  Purpose:
!     Return the mean atomic weight of an element.

!  Invocation:
!     RESULT = TAP_EMASS( IZ )

!  Description:
!     The mean atomic weight of the element associated with the given atomic 
!     number is returned. The atomic weight  assumes solar system relative
!     nuclide abundances. If the atomic number is not recognized, or if no
!     stable nuclides exist for the element, a value of TAP__DNULL is returned.

!  Arguments:
!     IZ = INTEGER (Given)
!        The atomic number of the element for which A is required.

!  Returned Value:
!     TAP_AELEM = DOUBLE PRECISION
!        The mean atomic weight, A, of the given element.