rmsd_config_type Derived Type

  1. config.f90
  2. rmsd_config
  3. rmsd_config_type

type, public :: rmsd_config_type

Configuration data for RMSD calculations


Contents

Type-Bound Procedures

Source Code

rmsd_config_type

Type-Bound Procedures

procedure, public :: get_filter

Select a filter from the configuration data

  • private subroutine get_filter(self, name, filter)

    Retrieve filter from configuration data

    Arguments

    TypeIntentOptionalAttributesName
    class(rmsd_config_type), intent(in), target:: self

    Instance of the configuration data
    character(len=*), intent(in) :: name

    Name of the filter
    type(rmsd_filter_type), pointer:: filter

    Filter to use

Source Code

   type :: rmsd_config_type

      !> Error on mismatching structures
      logical :: strict

      !> Conversion factor for output
      real(wp) :: conv

      !> Length unit for RMSD output
      character(len=:), allocatable :: length_unit

      !> Available RMSD filters
      type(rmsd_filter_type), allocatable :: filter(:)

   contains

      !> Select a filter from the configuration data
      procedure :: get_filter

   end type rmsd_config_type