From c8932216721fee92449ef6bd2bcad90e7c662363 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 23 Apr 2021 20:10:56 +0200 Subject: [PATCH 1/4] Accelerate database check --- pyiron_base/database/generic.py | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/pyiron_base/database/generic.py b/pyiron_base/database/generic.py index b92969437..d47812b7b 100644 --- a/pyiron_base/database/generic.py +++ b/pyiron_base/database/generic.py @@ -380,10 +380,9 @@ def _check_chem_formula_length(self, par_dict): par_dict(dict): dictionary of the parameter limit(int): the limit for the length of checmical formular """ - for key, value in par_dict.items(): - if key == 'chemicalformula' and not value is None: - if len(value) > self._chem_formula_lim_length: - par_dict[key] = "OVERFLOW_ERROR" + key_limited = 'chemicalformula' + if key_limited in par_dict.keys() and par_dict[key_limited] > self._chem_formula_lim_length: + par_dict[key_limited] = "OVERFLOW_ERROR" return par_dict # Item functions From 876a8ee7f6872adf58d942f138fd1530590c34b2 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 23 Apr 2021 20:14:44 +0200 Subject: [PATCH 2/4] Update generic.py --- pyiron_base/database/generic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyiron_base/database/generic.py b/pyiron_base/database/generic.py index d47812b7b..9fc6e4e58 100644 --- a/pyiron_base/database/generic.py +++ b/pyiron_base/database/generic.py @@ -381,7 +381,7 @@ def _check_chem_formula_length(self, par_dict): limit(int): the limit for the length of checmical formular """ key_limited = 'chemicalformula' - if key_limited in par_dict.keys() and par_dict[key_limited] > self._chem_formula_lim_length: + if key_limited in par_dict.keys() and len(par_dict[key_limited]) > self._chem_formula_lim_length: par_dict[key_limited] = "OVERFLOW_ERROR" return par_dict From 449ee8f721754a2c711c977141b8b7687d02ccef Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 23 Apr 2021 20:20:26 +0200 Subject: [PATCH 3/4] Update generic.py --- pyiron_base/database/generic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyiron_base/database/generic.py b/pyiron_base/database/generic.py index 9fc6e4e58..615365597 100644 --- a/pyiron_base/database/generic.py +++ b/pyiron_base/database/generic.py @@ -381,7 +381,7 @@ def _check_chem_formula_length(self, par_dict): limit(int): the limit for the length of checmical formular """ key_limited = 'chemicalformula' - if key_limited in par_dict.keys() and len(par_dict[key_limited]) > self._chem_formula_lim_length: + if key_limited in par_dict.keys() and par_dict[key_limited] is not None and len(par_dict[key_limited]) > self._chem_formula_lim_length: par_dict[key_limited] = "OVERFLOW_ERROR" return par_dict From 4df198fd573c83cc37713761d4bd76ff2dece24e Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 23 Apr 2021 20:24:13 +0200 Subject: [PATCH 4/4] Update generic.py --- pyiron_base/database/generic.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/pyiron_base/database/generic.py b/pyiron_base/database/generic.py index 615365597..7b6753c27 100644 --- a/pyiron_base/database/generic.py +++ b/pyiron_base/database/generic.py @@ -381,7 +381,9 @@ def _check_chem_formula_length(self, par_dict): limit(int): the limit for the length of checmical formular """ key_limited = 'chemicalformula' - if key_limited in par_dict.keys() and par_dict[key_limited] is not None and len(par_dict[key_limited]) > self._chem_formula_lim_length: + if key_limited in par_dict.keys() and \ + par_dict[key_limited] is not None and \ + len(par_dict[key_limited]) > self._chem_formula_lim_length: par_dict[key_limited] = "OVERFLOW_ERROR" return par_dict