Commit graph

1345 commits

Author SHA1 Message Date
Fabian Joswig
13ace62262
feat: guards added for functionality that breaks with numpy>=1.25 and
autograd==1.5.
2023-06-19 13:28:30 +01:00
Fabian Joswig
f14042132f
build: bumped dependency versions to the latest releases.
The idea is to reduce the number of potential version combinations for
easier debugging in the future.
2023-06-02 17:19:20 +01:00
Fabian Joswig
1b45e71e79
ci: mac-os python version fixed. 2023-06-02 16:17:28 +01:00
Fabian Joswig
cdadbd0fad
ci: windows removed from pytest workflow, mac-os python version bumped
to 3.10
2023-06-02 16:16:04 +01:00
Fabian Joswig
4886197a03
docs: changes to pytest workflow documented in CONTRIBUTING.md 2023-06-02 15:49:42 +01:00
Fabian Joswig
5b80f44485
ci: pytest workflow updated to fail on warnings. 2023-06-02 15:48:35 +01:00
Fabian Joswig
e0e2686142
fix: bug in _find_correlator fixed. (#193) 2023-06-02 15:46:27 +01:00
Fabian Joswig
09cf6bae5a
Merge branch 'master' into develop 2023-06-02 15:11:48 +01:00
Fabian Joswig
ba94cbb718
build: version bumped to 2.8.2, CHANGELOG updated. 2023-06-02 15:06:39 +01:00
Fabian Joswig
c6d04cf88b
Fix another edge case in _compute_drho (#194)
* tests: failing test for compute_drho edge case added.

* tests: example file for failing compute_drho added.

* tests: assertion that dvalue stays the same added to compute drho test.

* fix: another edge case in computation of drho fixed.
2023-06-02 15:05:35 +01:00
Fabian Joswig
525c61ed20
Fix another edge case in _compute_drho (#194)
* tests: failing test for compute_drho edge case added.

* tests: example file for failing compute_drho added.

* tests: assertion that dvalue stays the same added to compute drho test.

* fix: another edge case in computation of drho fixed.
2023-06-02 15:04:15 +01:00
Justus Kuhlmann
9489b87a7e
fix nan to None test (#192) 2023-06-01 14:07:16 +01:00
Fabian Joswig
bc6e7e93cb
Merge branch 'master' into develop 2023-06-01 13:42:49 +01:00
Fabian Joswig
07c8a1b71d
build: version bumped to 2.8.1, numpy versions >=1.25 excluded. 2023-06-01 13:35:15 +01:00
Fabian Joswig
ff2d4c23e8
docs: CHANGELOG updated. 2023-06-01 13:32:59 +01:00
Fabian Joswig
d339015cb3
Fix Obs in f-strings without specifier (#190)
* fix: Conversion of an array with ndim > 0 to a scalar deprecation fixed.

* fix: adjusted maximal value for rho in test_gamma_method_irregular.

* fix: obs in f-strings now work again when no specifier is provided.
2023-06-01 13:29:24 +01:00
Fabian Joswig
be1d8b2290
fix: Conversion of an array with ndim > 0 to a scalar deprecation fixed. (#186) 2023-06-01 13:29:24 +01:00
s-kuberski
b222b116f2
Bug fix for edge case in _compute_drho (#189) 2023-06-01 13:29:24 +01:00
Fabian Joswig
02b57817ae
fix: adjusted maximal value for rho in test_gamma_method_irregular. (#188) 2023-06-01 13:29:24 +01:00
Fabian Joswig
2acaf1b5db
tests: np.alltrue replaced by np.all. 2023-06-01 13:29:24 +01:00
Justus Kuhlmann
0535af992d
Feat/files idl xsf (#185)
* added kwrg idl to ms5_xsf_read

* change output, warn user if expected idl not found
2023-06-01 13:29:24 +01:00
Justus Kuhlmann
47a4b56617
taking care of cols with only None values (#184) 2023-06-01 13:29:24 +01:00
Fabian Joswig
bb43a8afb7
Fix Obs in f-strings without specifier (#190)
* fix: Conversion of an array with ndim > 0 to a scalar deprecation fixed.

* fix: adjusted maximal value for rho in test_gamma_method_irregular.

* fix: obs in f-strings now work again when no specifier is provided.
2023-05-31 18:07:38 +01:00
Fabian Joswig
ca70c7571b
fix: Conversion of an array with ndim > 0 to a scalar deprecation fixed. (#186) 2023-05-31 16:59:27 +01:00
s-kuberski
34fe7f44fc
Bug fix for edge case in _compute_drho (#189) 2023-05-30 15:29:22 +01:00
Fabian Joswig
095f7c8a46
fix: adjusted maximal value for rho in test_gamma_method_irregular. (#188) 2023-05-30 14:03:01 +01:00
Fabian Joswig
dc73456759
tests: np.alltrue replaced by np.all. 2023-05-30 12:52:10 +01:00
Justus Kuhlmann
1a811b04f3
Feat/files idl xsf (#185)
* added kwrg idl to ms5_xsf_read

* change output, warn user if expected idl not found
2023-05-26 13:01:52 +01:00
Justus Kuhlmann
e97cc519a9
taking care of cols with only None values (#184) 2023-05-22 12:37:46 +01:00
Fabian Joswig
bbe74b438c
docs: python badge changed to 3.8+ 2023-05-21 17:12:32 +01:00
Fabian Joswig
86c060e79f
ci: python 3.7 removed from ci. 2023-05-21 17:11:38 +01:00
Fabian Joswig
21def4aad1
build: python 3.7 removed from setup.py 2023-05-21 17:11:14 +01:00
Fabian Joswig
a443b4bb17
build: version bumped to 2.9.0-dev. 2023-05-21 17:10:40 +01:00
Fabian Joswig
dfe7de3a03
build: version bumped to 2.8.0 2023-05-21 17:06:09 +01:00
Fabian Joswig
889cc327fc
docs: CHANGELOG updated. 2023-05-21 17:05:59 +01:00
Fabian Joswig
e9e02749a0
fix: dobs import added to input/__init__.py (#181) 2023-05-21 16:56:56 +01:00
s-kuberski
81e4f37934
Restored JSON output of dicts with non-string keys (#179)
* Restored JSON output of dicts with non-string keys

* Use numpy.integer instead of deprecated numpy.int
2023-05-19 14:58:56 +01:00
Justus Kuhlmann
a5b6f69160
Slightly better Typechecking when exporting to SQL (#174)
* corret type clause

* add tests, changes in create_json_string

* create json-string now gives back None

* revert changes

* fix panda sql export

* add SQL test

* fixed None type export for csv and sql.gz

* move None parsing to json io

* alter regex

* revert changes

* only replace None with empty str when necessary

* fixed deserialze_df for python 3.7

* add more tesets

* fix case where gz was ignored

* hand voer gz explicitly

* replace nan  by None in non-Obs columns

* moved warning to csv export, mroe tests

* only values able to be nan are put in np.isnan()

* added python float for warning
2023-05-18 17:11:52 +01:00
Fabian Joswig
b75aa741a9
feat: color and zorder for prange indicator in Corr.show added. (#178) 2023-05-18 17:06:15 +01:00
s-kuberski
3198088f9c
Feat/flow (#176)
* fix: String conversion of Obs can now handle a dvalue that is NaN or inf

* Feat: Added extraction of w0/a from openQCD files

* Removed unnecessary round in w0 routine

* Improved error handling in fit_t0

* Allowed to change the reference flow time in t0 and w0 determinations.

* Added doc string to fit_t0
2023-05-16 18:29:13 +01:00
Justus Kuhlmann
5155effbbf
Fix/sort names (#177)
* cosmetic fix in sort_names

* bug fix, more tests
2023-05-16 18:28:32 +01:00
s-kuberski
15d07de87f
fix: String conversion of Obs can now handle a dvalue that is NaN or inf (#173) 2023-05-03 16:30:59 +02:00
Fabian Joswig
ccd911fd17
docs: citation info in documentation updated. 2023-04-29 11:09:05 +01:00
Fabian Joswig
0f0dcf47d9
docs: citation file corrected. 2023-04-29 10:59:45 +01:00
Fabian Joswig
9bc9910f27
docs: citation file updated. 2023-04-29 10:56:23 +01:00
s-kuberski
65a9128a7d
Fix/merge idx (#172)
* Fix: Corrected merging of idls

* Fix: Computation of drho in cases where tau_int is large compared to the chain length

* Removed unnecessary imports

* Refactor list comparisons in obs.py
2023-04-28 18:14:51 +01:00
Fabian Joswig
1184a0fe76
t0 extractions for new Hadrons module (#171)
* feat: first version of read flow observables for new hadrons module.

* feat: refactored t0 fit in seperate function and added extract_t0_hd5 to
hadrons submodule.
2023-04-25 08:25:33 +01:00
Fabian Joswig
be061fdc23
Feat/str format (#170)
* feat: _format_uncertainty now accepts a significance.

* feat: __format__ now accepts significance.

* feat: explicit + sign added to format.

* fix: - option removed from format specifier.

* feat: space format added.
2023-04-20 17:31:37 +01:00
s-kuberski
a214465413
Fix/gaps (#169)
* fix: Fixed range detection in gamma_method

* Corrected test in dobsio

* Changed expansion paradigm in gamma_method

* Extended tests

* Updated docstrings

* Removed unnecessary intermediate variable

* Removed unnecessary code

* Fixed previously introduced bug in output in obs.details()

* Fixed previously introduced bug in window determination

* New criterion for matching gapped replica, fixed determination of w_max and fixed tau_exp analysis with gaps

* tests: split up consistency test for gamma method.

---------

Co-authored-by: Fabian Joswig <fabian.joswig@ed.ac.uk>
2023-04-20 17:30:57 +01:00
Fabian Joswig
edcb4de8aa
docs: DOI badge corrected. 2023-04-14 15:41:29 +01:00