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mod_cmd_line.f90
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!---------------------------------------------------------------------------------------------------
! opd: a program to calculate the scaled Osipov-Pickup-Dunmur chirality index
!---------------------------------------------------------------------------------------------------
!
! Free software, licensed under GNU GPL v3
!
! Copyright (c) 2018 - 2024 Felippe M. Colombari
!
!---------------------------------------------------------------------------------------------------
!
! This is a 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.
!
! This program 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 this program. If
! not, see <https://www.gnu.org/licenses/>.
!
!---------------------------------------------------------------------------------------------------
!> @file mod_cmd_line.f90
!> @author Felippe M. Colombari
!> @brief Get command line arguments
!> @date - Mar, 2024
!> - independent module created
!---------------------------------------------------------------------------------------------------
module mod_cmd_line
use iso_fortran_env , only : stdout => output_unit
use mod_error_handling
use mod_constants , only : DP, int_alphabet, float_alphabet, char_alphabet, dashline
implicit none
private
public Parse_Arguments, filename, arg
character( len = 64 ) :: filename = char(0)
character( len = 20 ), allocatable, dimension(:) :: arg
integer :: ierr
type(error) :: err
contains
!---------------------------------------------------------------------------
!> @brief Parses the command line arguments
!> @author Felippe M. Colombari
!---------------------------------------------------------------------------
subroutine Parse_arguments
implicit none
integer :: i
integer :: ios = 0
integer :: narg = 0
integer :: nochar = 0
character( len = 256 ) :: cmd_line = char(0)
narg = command_argument_count()
call get_command(cmd_line)
write(stdout,'(/,T3, A)') dashline
write(stdout,'(/,T5, A, A)') "COMMAND LINE READ: ", trim(cmd_line)
write(stdout,'(/,T3, A)') dashline
if ( narg > 0 ) then
! to avoid allocation errors if one forget the argument "input"
allocate( arg(narg+1), stat=ierr )
if(ierr/=0) call err % error('e', err_message="abnormal memory allocation")
arg = char(0)
do i = 1, narg
call get_command_argument( i, arg(i) )
if ( arg(i)(1:2) == '--' ) then
SELECT CASE( arg(i) )
CASE( '--help' )
call Display_help
CASE( '--license' )
call Display_license
CASE( '--version')
call display_version
CASE( '--input' )
call Get_command_argument( i+1, arg(i+1) )
nochar = verify( trim( arg(i+1) ), char_alphabet )
if ( nochar > 0 ) then
call err % error('e', err_message="while reading command line.")
call err % error('e', err_check="molecule coordinate file.")
call err % error('e', err_tip="Should be a valid .xyz file.")
stop
else
read(arg(i+1),*,iostat=ios) filename
if ( ios > 0 ) then
call err % error('e', err_message="while reading command line.")
call err % error('e', err_check="molecule coordinate file.")
call err % error('e', err_tip="Should be a valid .xyz file.")
stop
endif
endif
CASE DEFAULT
call err % error('e', err_message="while reading command line.")
call err % error('e', err_check="invalid command line flag '"//trim(adjustl(arg(i)))//"'.")
stop
end SELECT
else
if ( arg(1)(1:2) /= '--' ) then
call err % error('e', err_message="while reading command line.")
call err % error('e', err_check="'"//trim(adjustl(arg(i+1)))//"' argument of '"//trim(adjustl(arg(i)))//"' flag.")
stop
endif
if ( ( i > 1 ) .and. ( arg(i-1)(1:2) ) /= '--' ) then
call err % error('e', err_message="while reading command line.")
call err % error('e', err_check="'"//trim(adjustl(arg(i+1)))//"' argument of '"//trim(adjustl(arg(i)))//"' flag.")
stop
endif
endif
enddo
if ( allocated(arg) ) deallocate(arg)
else if ( narg == 0 ) then
call err % error('e', err_message="while reading command line.")
call err % error('e', err_tip="Command line arguments are missing.")
stop
endif
if ( filename == char(0) ) then
call err % error('e', err_message="while reading command line.")
call err % error('e', err_check="molecule coordinate file.")
call err % error('e', err_tip="Should be a valid .xyz file.")
stop
endif
if ( allocated(arg) ) deallocate(arg)
end subroutine Parse_arguments
!---------------------------------------------------------------------------
!> @brief Displays command line options
!> @author Felippe M. Colombari
!---------------------------------------------------------------------------
subroutine Display_help
implicit none
write(stdout,'(/,T20, A)')'Usage: opd --input [FILE] '
write(stdout,'(/,T3, A)') dashline
write(stdout,'(/,T25, A)')'[FILE] is a .xyz coordinate file.'
write(stdout,'(/,T3, A)') dashline
if ( allocated(arg) ) deallocate(arg)
call err % termination(0,'f')
end subroutine Display_help
!---------------------------------------------------------------------------
!> @brief Displays the license
!> @author Felippe M. Colombari
!---------------------------------------------------------------------------
subroutine Display_license
implicit none
write(stdout,'(T36, A)')'Copyright 2024 Felippe M. Colombari'
write(stdout,'(/,T33, A)')'License GPLv3+: GNU GPL version 3 or later'
write(stdout,'(/,T6, A)')' This program is free software: you can redistribute it and/or modify it &
&under the terms of the'
write(stdout,'(T5, A)')'GNU General Public License as published by the Free Software Foundation, &
&either version 3 of the'
write(stdout,'(T30, A)')'License, or (at your option) any later version.'
write(stdout,'(/,T5, A)')'This program is distributed in the hope that it will be useful, but &
&WITHOUT ANY WARRANTY; without'
write(stdout,'(T12, A)')'even the implied warranty of MERCHANTABILITY or FITNESS FOR A &
&PARTICULAR PURPOSE.'
write(stdout,'(T26, A)')'See the GNU General Public License for more details.'
write(stdout,'(/,T4, A)')'You should have received a copy of the GNU General Public License along &
&with this program. If not,'
write(stdout,'(T34, A)')'see <https://www.gnu.org/licenses/>.'
write(stdout,'(/,T36, A)')'E-mail: [email protected]'
write(stdout,'(/,T3, A,/)') dashline
if ( allocated(arg) ) deallocate(arg)
call err % termination(0,'f')
end subroutine Display_license
!---------------------------------------------------------------------------
!> @brief Displays the version
!> @author Felippe M. Colombari
!---------------------------------------------------------------------------
subroutine Display_version()
implicit none
character(len=:), allocatable :: version
! TODO link to version control
version = '1.0.0-beta'
write(stdout,'(/,T3, A,/)') dashline
write(stdout,'(/, T5, "OPD_chirality_index ", A)') version
write(stdout,'(/,T3, A,/)') dashline
if ( allocated(arg) ) deallocate(arg)
call err % termination(0,'f')
end subroutine Display_version
end module mod_cmd_line