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| author |   Justin Lecher <jlec@gentoo.org> | 2013-11-29 08:38:42 +0000 |
|---|---|---|
| committer | Justin Lecher <jlec@gentoo.org> | 2013-11-29 08:38:42 +0000 |
| commit | 0d984bcaa0272997c60973247e6d8305b3e88e14 (patch) | |
| tree | 513e01602f1df4d4ade7f4e3ffb219f9adc25f86 /sci-chemistry/relax/files/relax-3.1.0-sample-script.patch | |
| parent | Version bump (diff) | |
| download | gentoo-2-0d984bcaa0272997c60973247e6d8305b3e88e14.tar.gz gentoo-2-0d984bcaa0272997c60973247e6d8305b3e88e14.tar.bz2 gentoo-2-0d984bcaa0272997c60973247e6d8305b3e88e14.zip | |
sci-chemistry/relax: Version BUmp
(Portage version: 2.2.7/cvs/Linux x86_64, RepoMan options: --force, signed Manifest commit with key B9D4F231BD1558AB!)
Diffstat (limited to 'sci-chemistry/relax/files/relax-3.1.0-sample-script.patch')
| -rw-r--r-- | sci-chemistry/relax/files/relax-3.1.0-sample-script.patch | 25 |
1 files changed, 25 insertions, 0 deletions
diff --git a/sci-chemistry/relax/files/relax-3.1.0-sample-script.patch b/sci-chemistry/relax/files/relax-3.1.0-sample-script.patch new file mode 100644 index 000000000000..c1eefd2cb736 --- /dev/null +++ b/sci-chemistry/relax/files/relax-3.1.0-sample-script.patch @@ -0,0 +1,25 @@ + sample_scripts/relax_disp/R1rho_analysis.py | 4 ++-- + 1 file changed, 2 insertions(+), 2 deletions(-) + +diff --git a/sample_scripts/relax_disp/R1rho_analysis.py b/sample_scripts/relax_disp/R1rho_analysis.py +index 1dcbf68..11d6f97 100644 +--- a/sample_scripts/relax_disp/R1rho_analysis.py ++++ b/sample_scripts/relax_disp/R1rho_analysis.py +@@ -77,7 +77,7 @@ spin.isotope(isotope='15N') + + # The spectral data - spectrum ID, peak list file name, spin-lock field strength (Hz), the spin-lock offset (ppm), the relaxation time (s), spectrometer frequency (Hz), and experimental error (RMSD of the base plane noise for each spectrum). + data = [ +- ['ref_500MHz', 'ref_500MHz.list', , None, 110.0, 0.1, 500e6, 200000.0] ++ ['ref_500MHz', 'ref_500MHz.list', None, 110.0, 0.1, 500e6, 200000.0] + ['nu_1000.0_500MHz', 'nu_1000.0_500MHz.list', 1000.0, 110.0, 0.1, 500e6, 200000.0] + ['nu_1500.0_500MHz', 'nu_1500.0_500MHz.list', 1500.0, 110.0, 0.1, 500e6, 200000.0] + ['nu_2000.0_500MHz', 'nu_2000.0_500MHz.list', 2000.0, 110.0, 0.1, 500e6, 200000.0] +@@ -89,7 +89,7 @@ data = [ + ['nu_5000.0_500MHz', 'nu_5000.0_500MHz.list', 5000.0, 110.0, 0.1, 500e6, 200000.0] + ['nu_5500.0_500MHz', 'nu_5500.0_500MHz.list', 5500.0, 110.0, 0.1, 500e6, 200000.0] + ['nu_6000.0_500MHz', 'nu_6000.0_500MHz.list', 6000.0, 110.0, 0.1, 500e6, 200000.0] +- ['ref_800MHz', 'ref_800MHz.list', , None, 110.0, 0.1, 800e6, 200000.0] ++ ['ref_800MHz', 'ref_800MHz.list', None, 110.0, 0.1, 800e6, 200000.0] + ['nu_1000.0_800MHz', 'nu_1000.0_800MHz.list', 1000.0, 110.0, 0.1, 800e6, 200000.0] + ['nu_1500.0_800MHz', 'nu_1500.0_800MHz.list', 1500.0, 110.0, 0.1, 800e6, 200000.0] + ['nu_2000.0_800MHz', 'nu_2000.0_800MHz.list', 2000.0, 110.0, 0.1, 800e6, 200000.0] |