use Test::More tests => 2; use strict; use warnings; use Chemistry::File::XYZ; my $mol = Chemistry::Mol->read("cyclobutene.xyz"); # default format my $got = $mol->print(format => "xyz"); open F, "cyclobutene2.xyz" or die "Couldn't open cyclobutene2.xyz: $!\n"; my $expected = do { local $/; }; is($got, $expected, "cyclobutene.xyz (default)"); # custom format $got = $mol->print(format => "xyz", symbol => 0, count => 0, name => 0); open F, "cyclobutene3.xyz" or die "Couldn't open cyclobutene3.xyz: $!\n"; $expected = do { local $/; }; is($got, $expected, "cyclobutene.xyz (custom)");