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This queue is for tickets about the Chemistry-File-InternalCoords CPAN distribution.

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The Basics
Id: 73857
Status: new
Priority: 0/
Queue: Chemistry-File-InternalCoords

Owner: Nobody in particular
Requestors: dmacks [...]

Bug Information
Severity: (no value)
Broken in: (no value)
Fixed in: (no value)

Subject: Selftest-failure: "equality" for coordinate-matrix comparisons
Date: Mon, 09 Jan 2012 17:56:56 -0500
To: bug-Chemistry-File-InternalCoords [...]
From: "Daniel Macks" <dmacks [...]>
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CPAN Testers Reports has several reports of failure when Chemistry::File::InternalCoords 0.03 does comparisons of Math::VectorReal and Chemistry::File::InternalCoords->coords (which is a Math::VectorReal) matrices. For example: PERL_DL_NONLAZY=1 /usr/bin/perl "-MExtUtils::Command::MM" "-e" "test_harness(0, 'blib/lib', 'blib/arch')" t/*.t # Testing Chemistry::File::InternalCoords 0.03, Perl 5.008006, /usr/bin/perl t/00-load.t ....... ok t/boilerplate.t ... ok #   Failed test 'H1: coords' #   at t/hydrogen.t line 36. # An error occurred while using eq: # ------------------------------------ # Operation `eq': no method found, #       left argument in overloaded package Math::VectorReal, #       right argument in overloaded package Math::VectorReal at (eval in cmp_ok) t/hydrogen.t line 36. # # ------------------------------------ #          got: '[  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00 ] # ' #     expected: '[  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00 ] # ' t/hydrogen.t line 36 is: is($atom->coords, Math::VectorReal->new(0,0,0), "H1: coords"); and the failure is because that is() is doing 'eq' comparison of objects that do not have a comparison operator defined (at least as of Math::VectorReal 1.02). A simple solution for the test failure is to stringify the matrices before comparing them: is($atom->coords->stringify, Math::VectorReal->new(0,0,0)->stringify, "H1: coords"); I'll also file this as a bug^Wmissing feature in Math::VectorReal, so maybe the solution here will really be a versioned dependency on a new release of that. dan -- Daniel Macks
Subject: Re: [ #73857] Linking Math::VectorReal bug
Date: Mon, 09 Jan 2012 18:20:26 -0500
To: bug-Chemistry-File-InternalCoords [...]
From: "Daniel Macks" <dmacks [...]>
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Bug filed against Math::VectorReal as dan -- Daniel Macks

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