chython 2.4__cp312-cp312-win_amd64.whl

chython/periodictable/groupI.py

@@ -0,0 +1,252 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2019-2024 Ramil Nugmanov <nougmanoff@protonmail.com>
+#  This file is part of chython.
+#
+#  chython is free software; you can redistribute it and/or modify
+#  it under the terms of the GNU Lesser General Public License as published by
+#  the Free Software Foundation; either version 3 of the License, or
+#  (at your option) any later version.
+#
+#  This program is distributed in the hope that it will be useful,
+#  but WITHOUT ANY WARRANTY; without even the implied warranty of
+#  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+#  GNU Lesser General Public License for more details.
+#
+#  You should have received a copy of the GNU Lesser General Public License
+#  along with this program; if not, see <https://www.gnu.org/licenses/>.
+#
+from .base import Element
+from .base.groups import GroupI
+from .base.periods import *
+
+
+class H(Element, PeriodI, GroupI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 1
+
+    @property
+    def isotopes_distribution(self):
+        return {1: 0.999885, 2: 0.000115, 3: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {1: 1.007825, 2: 2.014102, 3: 3.016049}
+
+    @property
+    def _common_valences(self):
+        return 1,
+
+    @property
+    def _valences_exceptions(self):
+        return (1, False, 0, ()), (0, True, 0, ()), (-1, False, 0, ())
+
+    @property
+    def atomic_radius(self):
+        return 0.53
+
+    @property
+    def mdl_isotope(self):
+        return 1
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+
+class Li(Element, PeriodII, GroupI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 3
+
+    @property
+    def isotopes_distribution(self):
+        return {6: 0.0759, 7: 0.9241}
+
+    @property
+    def isotopes_masses(self):
+        return {6: 6.015122, 7: 7.016004}
+
+    @property
+    def _common_valences(self):
+        return 0, 1
+
+    @property
+    def _valences_exceptions(self):
+        return (1, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 167
+
+    @property
+    def mdl_isotope(self):
+        return 7
+
+
+class Na(Element, PeriodIII, GroupI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 11
+
+    @property
+    def isotopes_distribution(self):
+        return {22: 0., 23: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {22: 21.994437, 23: 22.98977}
+
+    @property
+    def _common_valences(self):
+        return 0, 1
+
+    @property
+    def _valences_exceptions(self):
+        return (1, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 1.9
+
+    @property
+    def mdl_isotope(self):
+        return 23
+
+
+class K(Element, PeriodIV, GroupI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 19
+
+    @property
+    def isotopes_distribution(self):
+        return {39: 0.932581, 40: 0.000117, 41: 0.067302, 42: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {39: 38.963707, 40: 39.963999, 41: 40.961826, 42: 41.962402}
+
+    @property
+    def _common_valences(self):
+        return 0, 1
+
+    @property
+    def _valences_exceptions(self):
+        return (1, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 2.43
+
+    @property
+    def mdl_isotope(self):
+        return 39
+
+
+class Rb(Element, PeriodV, GroupI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 37
+
+    @property
+    def isotopes_distribution(self):
+        return {82: 0., 85: 0.7217, 87: 0.2783}
+
+    @property
+    def isotopes_masses(self):
+        return {82: 81.918209, 85: 84.911789, 87: 86.909183}
+
+    @property
+    def _common_valences(self):
+        return 0, 1
+
+    @property
+    def _valences_exceptions(self):
+        return (1, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 2.65
+
+    @property
+    def mdl_isotope(self):
+        return 85
+
+
+class Cs(Element, PeriodVI, GroupI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 55
+
+    @property
+    def isotopes_distribution(self):
+        return {131: 0., 133: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {131: 130.905464, 133: 132.905447}
+
+    @property
+    def _common_valences(self):
+        return 0, 1
+
+    @property
+    def _valences_exceptions(self):
+        return (1, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 2.98
+
+    @property
+    def mdl_isotope(self):
+        return 133
+
+
+class Fr(Element, PeriodVII, GroupI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 87
+
+    @property
+    def isotopes_distribution(self):
+        return {223: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {223: 223.019736}
+
+    @property
+    def _common_valences(self):
+        return 0, 1
+
+    @property
+    def _valences_exceptions(self):
+        return (1, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 2.98  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 223
+
+
+__all__ = ['H', 'Li', 'Na', 'K', 'Rb', 'Cs', 'Fr']

chython/periodictable/groupII.py

@@ -0,0 +1,223 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2019-2024 Ramil Nugmanov <nougmanoff@protonmail.com>
+#  Copyright 2019 Tagir Akhmetshin <tagirshin@gmail.com>
+#  This file is part of chython.
+#
+#  chython is free software; you can redistribute it and/or modify
+#  it under the terms of the GNU Lesser General Public License as published by
+#  the Free Software Foundation; either version 3 of the License, or
+#  (at your option) any later version.
+#
+#  This program is distributed in the hope that it will be useful,
+#  but WITHOUT ANY WARRANTY; without even the implied warranty of
+#  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+#  GNU Lesser General Public License for more details.
+#
+#  You should have received a copy of the GNU Lesser General Public License
+#  along with this program; if not, see <https://www.gnu.org/licenses/>.
+#
+from .base import Element
+from .base.groups import GroupII
+from .base.periods import PeriodII, PeriodIII, PeriodIV, PeriodV, PeriodVI, PeriodVII
+
+
+class Be(Element, PeriodII, GroupII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 4
+
+    @property
+    def isotopes_distribution(self):
+        return {9: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {9: 9.012182}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return (2, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 1.12
+
+    @property
+    def mdl_isotope(self):
+        return 9
+
+
+class Mg(Element, PeriodIII, GroupII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 12
+
+    @property
+    def isotopes_distribution(self):
+        return {24: 0.7899, 25: 0.1, 26: 0.1101}
+
+    @property
+    def isotopes_masses(self):
+        return {24: 23.985042, 25: 24.985837, 26: 25.982593}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return ((2, False, 0, ()),
+                (1, False, 0, ((1, 'C'),)),
+                (1, False, 0, ((1, 'O'),)),
+                (1, False, 0, ((1, 'Br'),)),
+                (1, False, 0, ((1, 'Cl'),)))
+
+    @property
+    def atomic_radius(self):
+        return 1.45
+
+    @property
+    def mdl_isotope(self):
+        return 24
+
+
+class Ca(Element, PeriodIV, GroupII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 20
+
+    @property
+    def isotopes_distribution(self):
+        return {40: 0.96941, 42: 0.00647, 43: 0.00135, 44: 0.02086, 45: 0., 46: 4e-05, 47: 0., 48: 0.00187}
+
+    @property
+    def isotopes_masses(self):
+        return {40: 39.962591, 42: 41.958618, 43: 42.958767, 44: 43.955481, 45: 44.956186, 46: 45.953693, 47: 46.954541,
+                48: 47.952534}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return (2, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 1.94
+
+    @property
+    def mdl_isotope(self):
+        return 40
+
+
+class Sr(Element, PeriodV, GroupII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 38
+
+    @property
+    def isotopes_distribution(self):
+        return {84: 0.0056, 85: 0., 86: 0.0986, 87: 0.07, 88: 0.8258, 89: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {84: 83.913425, 85: 84.912933, 86: 85.909262, 87: 86.908879, 88: 87.905614, 89: 88.907451}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return (2, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 2.19
+
+    @property
+    def mdl_isotope(self):
+        return 88
+
+
+class Ba(Element, PeriodVI, GroupII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 56
+
+    @property
+    def isotopes_distribution(self):
+        return {130: 0.00106, 132: 0.00101, 134: 0.02417, 135: 0.06592, 136: 0.07854, 137: 0.11232, 138: 0.71698}
+
+    @property
+    def isotopes_masses(self):
+        return {130: 129.90631, 132: 131.905056, 134: 133.904503, 135: 134.905683, 136: 135.90457, 137: 136.905821,
+                138: 137.905241}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return (2, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 2.53
+
+    @property
+    def mdl_isotope(self):
+        return 137
+
+
+class Ra(Element, PeriodVII, GroupII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 88
+
+    @property
+    def isotopes_distribution(self):
+        return {223: 0., 226: 1.0, 228: 0., 233: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {223: 223.018502, 226: 226.025410, 228: 228.031070, 233: 233.048065}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return (2, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 2.53  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 226
+
+
+__all__ = ['Be', 'Mg', 'Ca', 'Sr', 'Ba', 'Ra']