1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
|
package Demeter::Data::Units;
=for Copyright
.
Copyright (c) 2006-2019 Bruce Ravel (http://bruceravel.github.io/home).
All rights reserved.
.
This file is free software; you can redistribute it and/or
modify it under the same terms as Perl itself. See The Perl
Artistic License.
.
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.
=cut
use Moose::Role;
use MooseX::Aliases;
use Carp;
use Demeter::Constants qw($ETOK $PI $HBARC);
sub e2k {
my ($self, $e, $how) = @_;
return 0 if (not defined($e));
return 0 if ($e<0);
$how ||= 'rel';
if ($how =~ m{rel}) { # relative energy
return sqrt($e*$ETOK);
} else { # absolute energy
my $e0 = $self->bkg_e0;
($e < $e0) and ($e0 = 0);
return sqrt(($e-$e0)*$ETOK);
};
};
sub k2e {
my ($self, $k, $how) = @_;
return 0 if ($k<0);
$how ||= 'rel';
if ($how =~ m{rel}) { # relative energy
return $k**2 / $ETOK;
} else { # absolute energy
my $e0 = $self->bkg_e0;
return ($k**2 / $ETOK) + $e0;
};
};
sub e2l {
my ($self, $input);
($input and ($input > 0)) or return 0;
return 2*$PI*$HBARC / $input;
};
alias l2e => 'e2l';
sub number2clamp {
my ($self, $input) = @_;
my @strings = qw(none slight weak medium strong rigid);
my @values = map {$self->co->default("clamp", $_)} @strings;
my $return = 100000;
my $found = -1;
foreach my $i (0 .. $#values) {
$found = $i if (abs($input-$values[$i]) < $return);
$return = abs($input-$values[$i]);
};
return $strings[$found];
};
1;
=head1 NAME
Demeter::Data::Units - Unit conversion
=head1 VERSION
This documentation refers to Demeter version 0.9.26.
=head1 SYNOPSIS
my $data = Demeter::Data -> new;
my $k = $data->e2k(312);
my $e = $data->k2e(3.7);
=head1 DESCRIPTION
This role of Demeter::Data contains methods for unit conversion.
=head1 METHODS
=over 4
=item C<e2k>
This method converts between relative energy values and wavenumber
using the group's value for e0.
=item C<k2e>
This method converts between relative wavenumber and energy values
using the group's value for e0.
=item C<e2l>
This method converts between absolute energy and wavelength. C<l2e>
is an alias for this method -- the formula is the same regardless of
direction.
=back
=head1 CONFIGURATION
See L<Demeter::Config> for a description of the configuration
system.
=head1 DEPENDENCIES
Demeter's dependencies are in the F<Build.PL> file.
=head1 BUGS AND LIMITATIONS
Please report problems to the Ifeffit Mailing List
(L<http://cars9.uchicago.edu/mailman/listinfo/ifeffit/>)
Patches are welcome.
=head1 AUTHOR
Bruce Ravel, L<http://bruceravel.github.io/home>
L<http://bruceravel.github.io/demeter/>
=head1 LICENCE AND COPYRIGHT
Copyright (c) 2006-2019 Bruce Ravel (L<http://bruceravel.github.io/home>). All rights reserved.
This module is free software; you can redistribute it and/or
modify it under the same terms as Perl itself. See L<perlgpl>.
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.
=cut
|
