From 35f9baef8cf405322b9502c7708062f5759c19fd Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Matthias=20K=C3=B6nig?= Date: Fri, 31 Jan 2025 11:33:50 +0100 Subject: [PATCH] fixing inf issues --- setup.cfg | 9 +++++---- src/sbmlsim/fit/helpers.py | 5 ++++- src/sbmlsim/fit/objects.py | 4 ++-- src/sbmlsim/fit/optimization.py | 4 ++-- 4 files changed, 13 insertions(+), 9 deletions(-) diff --git a/setup.cfg b/setup.cfg index 34962db..4473474 100644 --- a/setup.cfg +++ b/setup.cfg @@ -28,8 +28,9 @@ classifiers = Intended Audience :: Science/Research License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3) Operating System :: OS Independent - Programming Language :: Python :: 3.8 - Programming Language :: Python :: 3.9 + Programming Language :: Python :: 3.11 + Programming Language :: Python :: 3.12 + Programming Language :: Python :: Implementation :: CPython Topic :: Scientific/Engineering Topic :: Scientific/Engineering :: Bio-Informatics @@ -49,8 +50,8 @@ zip_safe = True python_requires = >=3.11 install_requires = sbmlutils>=0.8.7 - numpy>=1.26.4 - libroadrunner>=2.7.0 + numpy>=2.2 + libroadrunner>=2.8.0 scipy>=1.12.0 pint>=0.23 diff --git a/src/sbmlsim/fit/helpers.py b/src/sbmlsim/fit/helpers.py index 1f2c436..4929ef5 100644 --- a/src/sbmlsim/fit/helpers.py +++ b/src/sbmlsim/fit/helpers.py @@ -108,8 +108,11 @@ def f_fitexp( return fit_experiments + def filter_empty(fit_mapping_key: str, fit_mapping: FitMapping) -> bool: """Return all experiments/mappings.""" return True - +def filter_outlier(fit_mapping_key: str, fit_mapping: FitMapping) -> bool: + """Return non outlier experiments.""" + return not fit_mapping.metadata.outlier diff --git a/src/sbmlsim/fit/objects.py b/src/sbmlsim/fit/objects.py index 1ff7913..3888496 100644 --- a/src/sbmlsim/fit/objects.py +++ b/src/sbmlsim/fit/objects.py @@ -224,8 +224,8 @@ def __init__( self, pid: str, start_value: float = None, - lower_bound: float = -np.Inf, - upper_bound: float = np.Inf, + lower_bound: float = -np.inf, + upper_bound: float = np.inf, unit: str = None, ): """Initialize FitParameter. diff --git a/src/sbmlsim/fit/optimization.py b/src/sbmlsim/fit/optimization.py index a219202..34908fc 100644 --- a/src/sbmlsim/fit/optimization.py +++ b/src/sbmlsim/fit/optimization.py @@ -43,8 +43,8 @@ class RuntimeErrorOptimizeResult: status: str = "-1" success: bool = False duration: float = -1.0 - cost: float = np.Inf - optimality: float = np.Inf + cost: float = np.inf + optimality: float = np.inf class OptimizationProblem(ObjectJSONEncoder):