classify_line Function

public pure function classify_line(line) result(line_type)

Classify a line from a gamess formatted basis set file

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: line

Return Value integer


Calls

proc~~classify_line~~CallsGraph proc~classify_line classify_line proc~is_blank_or_control is_blank_or_control proc~classify_line->proc~is_blank_or_control proc~is_function_line is_function_line proc~classify_line->proc~is_function_line proc~is_shell_header is_shell_header proc~classify_line->proc~is_shell_header

Called by

proc~~classify_line~~CalledByGraph proc~classify_line classify_line proc~count_shells_for_element count_shells_for_element proc~count_shells_for_element->proc~classify_line proc~fill_element_basis fill_element_basis proc~fill_element_basis->proc~classify_line proc~parse_element_basis parse_element_basis proc~parse_element_basis->proc~count_shells_for_element proc~parse_element_basis->proc~fill_element_basis proc~build_molecular_basis build_molecular_basis proc~build_molecular_basis->proc~parse_element_basis

Variables

Type Visibility Attributes Name Initial
character(len=:), private, allocatable :: line_trim

Source Code

   pure function classify_line(line) result(line_type)
      !! Classify a line from a gamess formatted basis set file
      character(len=*), intent(in) :: line
      integer :: line_type

      character(len=:), allocatable :: line_trim

      line_trim = trim(adjustl(line))

      if (is_blank_or_control(line_trim)) then
         line_type = LINE_UNKNOWN
      else if (is_function_line(line_trim)) then
         line_type = LINE_FUNCTION
      else if (is_shell_header(line_trim)) then
         line_type = LINE_SHELL
      else
         line_type = LINE_ATOM
      end if

   end function classify_line