From 569938660419f147e2413781734cec673bef3d8c Mon Sep 17 00:00:00 2001 From: Simon Billinge <simon.billinge@gmail.com> Date: Tue, 30 Jul 2024 06:19:37 -0400 Subject: [PATCH 1/3] requirements --- requirements/run.txt | 3 +++ requirements/test.txt | 4 ++++ 2 files changed, 7 insertions(+) create mode 100644 requirements/run.txt create mode 100644 requirements/test.txt diff --git a/requirements/run.txt b/requirements/run.txt new file mode 100644 index 0000000..1b57b14 --- /dev/null +++ b/requirements/run.txt @@ -0,0 +1,3 @@ +numpy +scipy +matplotlib-base diff --git a/requirements/test.txt b/requirements/test.txt new file mode 100644 index 0000000..7666f95 --- /dev/null +++ b/requirements/test.txt @@ -0,0 +1,4 @@ +flake8 +pytest +codecov +coverage From 9bbc36458b11f0ece0297fad3131239f8650fb22 Mon Sep 17 00:00:00 2001 From: Simon Billinge <simon.billinge@gmail.com> Date: Tue, 30 Jul 2024 06:35:33 -0400 Subject: [PATCH 2/3] basefunction --- diffpy/srmise/basefunction.py | 1 + 1 file changed, 1 insertion(+) diff --git a/diffpy/srmise/basefunction.py b/diffpy/srmise/basefunction.py index 3451baf..c594b09 100644 --- a/diffpy/srmise/basefunction.py +++ b/diffpy/srmise/basefunction.py @@ -3,6 +3,7 @@ # # SrMise by Luke Granlund # (c) 2014 trustees of the Michigan State University. +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund From c278a111f8315f75598c4cde59f397f5077eb563 Mon Sep 17 00:00:00 2001 From: Simon Billinge <simon.billinge@gmail.com> Date: Tue, 30 Jul 2024 06:38:36 -0400 Subject: [PATCH 3/3] all the copyright statements --- diffpy/srmise/__init__.py | 3 ++- diffpy/srmise/applications/__init__.py | 3 ++- diffpy/srmise/applications/plot.py | 3 ++- diffpy/srmise/basefunction.py | 3 ++- diffpy/srmise/baselines/__init__.py | 3 ++- diffpy/srmise/baselines/arbitrary.py | 3 ++- diffpy/srmise/baselines/base.py | 3 ++- diffpy/srmise/baselines/fromsequence.py | 3 ++- diffpy/srmise/baselines/nanospherical.py | 3 ++- diffpy/srmise/baselines/polynomial.py | 3 ++- diffpy/srmise/dataclusters.py | 3 ++- diffpy/srmise/modelcluster.py | 3 ++- diffpy/srmise/modelevaluators/__init__.py | 3 ++- diffpy/srmise/modelevaluators/aic.py | 3 ++- diffpy/srmise/modelevaluators/aicc.py | 3 ++- diffpy/srmise/modelevaluators/base.py | 3 ++- diffpy/srmise/modelparts.py | 3 ++- diffpy/srmise/multimodelselection.py | 3 ++- diffpy/srmise/pdfpeakextraction.py | 3 ++- diffpy/srmise/peakextraction.py | 3 ++- diffpy/srmise/peaks/__init__.py | 3 ++- diffpy/srmise/peaks/base.py | 3 ++- diffpy/srmise/peaks/gaussian.py | 3 ++- diffpy/srmise/peaks/gaussianoverr.py | 3 ++- diffpy/srmise/peaks/terminationripples.py | 3 ++- diffpy/srmise/peakstability.py | 3 ++- diffpy/srmise/srmiseerrors.py | 3 ++- diffpy/srmise/srmiselog.py | 3 ++- diffpy/srmise/version.py | 3 ++- 29 files changed, 58 insertions(+), 29 deletions(-) diff --git a/diffpy/srmise/__init__.py b/diffpy/srmise/__init__.py index 532c767..36441da 100644 --- a/diffpy/srmise/__init__.py +++ b/diffpy/srmise/__init__.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/applications/__init__.py b/diffpy/srmise/applications/__init__.py index e9f32f6..5540acb 100644 --- a/diffpy/srmise/applications/__init__.py +++ b/diffpy/srmise/applications/__init__.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/applications/plot.py b/diffpy/srmise/applications/plot.py index ba4070a..5dc59e1 100755 --- a/diffpy/srmise/applications/plot.py +++ b/diffpy/srmise/applications/plot.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/basefunction.py b/diffpy/srmise/basefunction.py index c594b09..d0049a5 100644 --- a/diffpy/srmise/basefunction.py +++ b/diffpy/srmise/basefunction.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # diff --git a/diffpy/srmise/baselines/__init__.py b/diffpy/srmise/baselines/__init__.py index fc8ad98..0515732 100644 --- a/diffpy/srmise/baselines/__init__.py +++ b/diffpy/srmise/baselines/__init__.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/baselines/arbitrary.py b/diffpy/srmise/baselines/arbitrary.py index 4e78be4..6d1fe0d 100644 --- a/diffpy/srmise/baselines/arbitrary.py +++ b/diffpy/srmise/baselines/arbitrary.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/baselines/base.py b/diffpy/srmise/baselines/base.py index 781d617..7324f8d 100644 --- a/diffpy/srmise/baselines/base.py +++ b/diffpy/srmise/baselines/base.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/baselines/fromsequence.py b/diffpy/srmise/baselines/fromsequence.py index 5d770a5..120a359 100644 --- a/diffpy/srmise/baselines/fromsequence.py +++ b/diffpy/srmise/baselines/fromsequence.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/baselines/nanospherical.py b/diffpy/srmise/baselines/nanospherical.py index 929a66f..4781312 100644 --- a/diffpy/srmise/baselines/nanospherical.py +++ b/diffpy/srmise/baselines/nanospherical.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/baselines/polynomial.py b/diffpy/srmise/baselines/polynomial.py index c831c19..d7ba84a 100644 --- a/diffpy/srmise/baselines/polynomial.py +++ b/diffpy/srmise/baselines/polynomial.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/dataclusters.py b/diffpy/srmise/dataclusters.py index 27755cd..6b64333 100644 --- a/diffpy/srmise/dataclusters.py +++ b/diffpy/srmise/dataclusters.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/modelcluster.py b/diffpy/srmise/modelcluster.py index bab672d..d7d1742 100644 --- a/diffpy/srmise/modelcluster.py +++ b/diffpy/srmise/modelcluster.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/modelevaluators/__init__.py b/diffpy/srmise/modelevaluators/__init__.py index 4cda42c..1d80760 100644 --- a/diffpy/srmise/modelevaluators/__init__.py +++ b/diffpy/srmise/modelevaluators/__init__.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/modelevaluators/aic.py b/diffpy/srmise/modelevaluators/aic.py index 729e556..7321d9f 100644 --- a/diffpy/srmise/modelevaluators/aic.py +++ b/diffpy/srmise/modelevaluators/aic.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/modelevaluators/aicc.py b/diffpy/srmise/modelevaluators/aicc.py index 1e31b90..18e950b 100644 --- a/diffpy/srmise/modelevaluators/aicc.py +++ b/diffpy/srmise/modelevaluators/aicc.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/modelevaluators/base.py b/diffpy/srmise/modelevaluators/base.py index 54c304a..9ec79fc 100644 --- a/diffpy/srmise/modelevaluators/base.py +++ b/diffpy/srmise/modelevaluators/base.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/modelparts.py b/diffpy/srmise/modelparts.py index 046b2f1..9b217ec 100644 --- a/diffpy/srmise/modelparts.py +++ b/diffpy/srmise/modelparts.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/multimodelselection.py b/diffpy/srmise/multimodelselection.py index 53773f1..dabebcc 100644 --- a/diffpy/srmise/multimodelselection.py +++ b/diffpy/srmise/multimodelselection.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/pdfpeakextraction.py b/diffpy/srmise/pdfpeakextraction.py index 1971bce..f68a7cf 100644 --- a/diffpy/srmise/pdfpeakextraction.py +++ b/diffpy/srmise/pdfpeakextraction.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/peakextraction.py b/diffpy/srmise/peakextraction.py index 30235e6..ac938ac 100644 --- a/diffpy/srmise/peakextraction.py +++ b/diffpy/srmise/peakextraction.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/peaks/__init__.py b/diffpy/srmise/peaks/__init__.py index d3c7ee3..dba8fb9 100644 --- a/diffpy/srmise/peaks/__init__.py +++ b/diffpy/srmise/peaks/__init__.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/peaks/base.py b/diffpy/srmise/peaks/base.py index 6e87d83..0f17c68 100644 --- a/diffpy/srmise/peaks/base.py +++ b/diffpy/srmise/peaks/base.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/peaks/gaussian.py b/diffpy/srmise/peaks/gaussian.py index 15ea447..2c12788 100644 --- a/diffpy/srmise/peaks/gaussian.py +++ b/diffpy/srmise/peaks/gaussian.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/peaks/gaussianoverr.py b/diffpy/srmise/peaks/gaussianoverr.py index 28df1a8..d5e8656 100644 --- a/diffpy/srmise/peaks/gaussianoverr.py +++ b/diffpy/srmise/peaks/gaussianoverr.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/peaks/terminationripples.py b/diffpy/srmise/peaks/terminationripples.py index 4706e8f..7c4785a 100644 --- a/diffpy/srmise/peaks/terminationripples.py +++ b/diffpy/srmise/peaks/terminationripples.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/peakstability.py b/diffpy/srmise/peakstability.py index 26952b2..f53eed2 100644 --- a/diffpy/srmise/peakstability.py +++ b/diffpy/srmise/peakstability.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/srmiseerrors.py b/diffpy/srmise/srmiseerrors.py index ed5287f..62953d5 100644 --- a/diffpy/srmise/srmiseerrors.py +++ b/diffpy/srmise/srmiseerrors.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/srmiselog.py b/diffpy/srmise/srmiselog.py index 4677ed1..bfc6002 100644 --- a/diffpy/srmise/srmiselog.py +++ b/diffpy/srmise/srmiselog.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund diff --git a/diffpy/srmise/version.py b/diffpy/srmise/version.py index d0c6e1d..094af4a 100644 --- a/diffpy/srmise/version.py +++ b/diffpy/srmise/version.py @@ -2,7 +2,8 @@ ############################################################################## # # SrMise by Luke Granlund -# (c) 2014 trustees of the Michigan State University. +# (c) 2014 trustees of the Michigan State University +# (c) 2024 trustees of Columia University in the City of New York # All rights reserved. # # File coded by: Luke Granlund