NAME

HackaMol::X::Roles::ExtensionRole - Role to assist writing HackaMol extensions to external programs

VERSION

version 0.013

SYNOPSIS

    package HackaMol::X::SomeExtension;
    use Moose;

    with qw(HackaMol::X::Roles::ExtensionRole);

    sub _build_map_in{
      my $sub_cr = sub { return (@_) };
      return $sub_cr;
    }

    sub _build_map_out{
      my $sub_cr = sub { return (@_) };
      return $sub_cr;
    }

    sub BUILD {
      my $self = shift;

      if ( $self->has_scratch ) {
          $self->scratch->mkpath unless ( $self->scratch->exists );
      }
    }

    no Moose;
    1;

DESCRIPTION

The HackaMol::X::Roles::ExtensionRole includes methods and attributes that are useful for building extensions with code reuse. This role will improve as extensions are written and needs arise. This role is flexible and can be encapsulated and rigidified in extensions. Advanced use of extensions should still be able to access this flexibility to allow tinkering with internals! Consumes HackaMol::Roles::ExeRole and HackaMol::Roles::PathRole ... ExeRole may be removed from core and wrapped in here.

METHODS

map_input

the main function is to change to scratch directory, if set, and pass all arguments (including self) to map_in CodeRef.

  $calc->map_input(@args);

will invoke,

  &{$calc->map_in}(@_);  #where @_ = ($self,@args)

and return anything returned by the map_in function. Thus, any input writing should take place in map_in inorder to actually write to the scratch directory.

map_output

completely analogous to map_input. Thus, the output must be opened and processed in the map_out function.

build_command

builds the command from the attributes: exe, inputfn, exe_endops, if they exist, and returns the command.

capture_sys_command

uses Capture::Tiny capture method to run a command using a system call. STDOUT, STDERR, are captured and returned.

  my ($stdout, $stderr,@other) = capture { system($command) }

the $command is taken from $calc->command unless the $command is passed,

  $calc->capture_sys_command($some_command);

capture_sys_command returns ($stdout, $stderr,@other) or 0 if there is no command set.

ATTRIBUTES

scratch

Coerced to be 'Path::Tiny' via AbsPath. If scratch is set, map_input and map_output will local CWD to the scratch to carry out operations. See HackaMol::PathRole for more information about the scratch attribute and other attributes available (such as in_fn and out_fn).

mol

isa HackaMol::Molecule that is ro

map_in

isa CodeRef that is ro. The default builder is required for consuming classes.

intended for mapping input files from molecular information, but it is completely flexible. Used in map_input method. Can also be directly ivoked,

  &{$calc->map_in}(@args); 

as any other subroutine would be. Extensions can build the map_in function so that it returns the content of $input which can then be written within API methods.

map_out

isa CodeRef that is ro. The default builder is required for consuming classes.

intended for mapping molecular information from output files, but it is completely flexible and analogous to map_in.

CONSUMES

• HackaMol::Roles::ExeRole

• HackaMol::Roles::ExeRole

• HackaMol::Roles::PathRole

AUTHOR

Demian Riccardi <demianriccardi@gmail.com>

COPYRIGHT AND LICENSE

This software is copyright (c) 2016 by Demian Riccardi.

This is free software; you can redistribute it and/or modify it under the same terms as the Perl 5 programming language system itself.

cpanm HackaMol::X::Roles::ExtensionRole

perl -MCPAN -e shell
install HackaMol::X::Roles::ExtensionRole