chython 2.4__cp312-cp312-win_amd64.whl

chython/periodictable/groupXI.py

@@ -0,0 +1,164 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2019-2024 Ramil Nugmanov <nougmanoff@protonmail.com>
+#  Copyright 2019 Alexander Nikanshin <17071996sasha@gmail.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 GroupXI
+from .base.periods import PeriodIV, PeriodV, PeriodVI, PeriodVII
+
+
+class Cu(Element, PeriodIV, GroupXI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 29
+
+    @property
+    def isotopes_distribution(self):
+        return {63: 0.6917, 64: 0., 65: 0.3083, 67: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {63: 62.929601, 64: 63.929764, 65: 64.927794, 67: 66.927730}
+
+    @property
+    def _common_valences(self):
+        return 0, 1, 2
+
+    @property
+    def _valences_exceptions(self):
+        return ((1, False, 0, ()), (2, False, 0, ()),
+                (-1, False, 0, ((1, 'Cl'), (1, 'Cl'))),  # [CuCl2]-
+                (-3, False, 0, ((1, 'S'), (1, 'S'))))  # [CuS2]3-
+
+    @property
+    def atomic_radius(self):
+        return 1.45
+
+    @property
+    def mdl_isotope(self):
+        return 64
+
+
+class Ag(Element, PeriodV, GroupXI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 47
+
+    @property
+    def isotopes_distribution(self):
+        return {107: 0.51839, 109: 0.48161, 110: 0., 111: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {107: 106.905093, 109: 108.904756, 110: 109.906107, 111: 110.905291}
+
+    @property
+    def _common_valences(self):
+        return 0, 1
+
+    @property
+    def _valences_exceptions(self):
+        return ((1, False, 0, ()),
+                (-1, False, 0, ((1, 'Cl'), (1, 'Cl'))),  # [AgCl2]-
+                (-1, False, 0, ((1, 'O'), (1, 'O'))),  # [Ag(OH)2]-
+                (-1, False, 0, ((1, 'S'), (1, 'S'))),  # [AgS2]-
+                (0, False, 0, ((1, 'F'), (1, 'F'))))  # AgF2
+
+    @property
+    def atomic_radius(self):
+        return 1.65
+
+    @property
+    def mdl_isotope(self):
+        return 108
+
+
+class Au(Element, PeriodVI, GroupXI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 79
+
+    @property
+    def isotopes_distribution(self):
+        return {195: 0., 197: 1.0, 198: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {195: 194.965035, 197: 196.966552, 198: 197.968244}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ((1, False, 0, ()), (3, False, 0, ()),
+                (0, False, 0, ((1, 'Cl'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'Cl'), (1, 'Cl'), (1, 'O'))),
+                (0, False, 0, ((1, 'Br'), (1, 'Br'), (1, 'Br'))),
+                (-1, False, 0, ((1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.74
+
+    @property
+    def mdl_isotope(self):
+        return 197
+
+
+class Rg(Element, PeriodVII, GroupXI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 111
+
+    @property
+    def isotopes_distribution(self):
+        return {282: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {282: 282.169127}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.74  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 281
+
+
+__all__ = ['Cu', 'Ag', 'Au', 'Rg']

chython/periodictable/groupXII.py

@@ -0,0 +1,158 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2019-2024 Ramil Nugmanov <nougmanoff@protonmail.com>
+#  Copyright 2019 Dayana Bashirova <dayana.bashirova@yandex.ru>
+#  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 GroupXII
+from .base.periods import PeriodIV, PeriodV, PeriodVI, PeriodVII
+
+
+class Zn(Element, PeriodIV, GroupXII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 30
+
+    @property
+    def isotopes_distribution(self):
+        return {62: 0., 64: 0.4863, 66: 0.279, 67: 0.041, 68: 0.1875, 69: 0., 70: 0.0062}
+
+    @property
+    def isotopes_masses(self):
+        return {62: 61.934330, 64: 63.929147, 66: 65.926037, 67: 66.927131, 68: 67.924848, 69: 68.926550, 70: 69.925325}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return ((2, False, 0, ()), (1, False, 0, ((1, 'C'),)),
+                (-2, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'), (1, 'O'))))  # Zn[(OH)4]2-
+
+    @property
+    def atomic_radius(self):
+        return 1.42
+
+    @property
+    def mdl_isotope(self):
+        return 65
+
+
+class Cd(Element, PeriodV, GroupXII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 48
+
+    @property
+    def isotopes_distribution(self):
+        return {106: 0.0125, 108: 0.0089, 110: 0.1249, 111: 0.128, 112: 0.2413, 113: 0.1222, 114: 0.2873, 116: 0.0749}
+
+    @property
+    def isotopes_masses(self):
+        return {106: 105.906458, 108: 107.904183, 110: 109.903006, 111: 110.904182, 112: 111.902757, 113: 112.904401,
+                114: 113.903358, 116: 115.904755}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return ((2, False, 0, ()),
+                (-2, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'), (1, 'O'))))  # Cd[(OH)4]2-
+
+    @property
+    def atomic_radius(self):
+        return 1.61
+
+    @property
+    def mdl_isotope(self):
+        return 112
+
+
+class Hg(Element, PeriodVI, GroupXII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 80
+
+    @property
+    def isotopes_distribution(self):
+        return {196: 0.0015, 197: 0., 198: 0.0997, 199: 0.1687, 200: 0.231, 201: 0.1318, 202: 0.2986, 203: 0.,
+                204: 0.0687}
+
+    @property
+    def isotopes_masses(self):
+        return {196: 195.965815, 197: 196.967213, 198: 197.966752, 199: 198.968262, 200: 199.968309, 201: 200.970285,
+                202: 201.970626, 203: 202.972873, 204: 203.973476}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return (2, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return 1.71
+
+    @property
+    def mdl_isotope(self):
+        return 201
+
+
+class Cn(Element, PeriodVII, GroupXII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 112
+
+    @property
+    def isotopes_distribution(self):
+        return {285: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {285: 285.177444}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.71  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 285
+
+
+__all__ = ['Zn', 'Cd', 'Hg', 'Cn']

chython/periodictable/groupXIII.py

@@ -0,0 +1,239 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2019-2024 Ramil Nugmanov <nougmanoff@protonmail.com>
+#  Copyright 2019 Tagir Akhmetshin <tagirshin@gmail.com>
+#  Copyright 2019 Tansu Nasyrova <tansu.nasyrova@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 GroupXIII
+from .base.periods import PeriodII, PeriodIII, PeriodIV, PeriodV, PeriodVI, PeriodVII
+
+
+class B(Element, PeriodII, GroupXIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 5
+
+    @property
+    def isotopes_distribution(self):
+        return {10: 0.199, 11: 0.801}
+
+    @property
+    def isotopes_masses(self):
+        return {10: 10.012937, 11: 11.009305}
+
+    @property
+    def _common_valences(self):
+        return 3,
+
+    @property
+    def _valences_exceptions(self):
+        return ((-1, False, 4, ()), (0, False, 0, ()),
+                (0, True, 2, ()))  # radical OGB-dataset
+
+    @property
+    def atomic_radius(self):
+        return .87
+
+    @property
+    def mdl_isotope(self):
+        return 11
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+    @property
+    def is_forming_double_bonds(self):
+        return True
+
+
+class Al(Element, PeriodIII, GroupXIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 13
+
+    @property
+    def isotopes_distribution(self):
+        return {27: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {27: 26.981538}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ((3, False, 0, ()),
+                (2, False, 1, ()), (1, False, 2, ()), (0, False, 3, ()), (-1, False, 4, ()),  # accept [AlHx]
+                (-3, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.18
+
+    @property
+    def mdl_isotope(self):
+        return 27
+
+
+class Ga(Element, PeriodIV, GroupXIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 31
+
+    @property
+    def isotopes_distribution(self):
+        return {67: 0., 68: 0., 69: 0.60108, 71: 0.39892}
+
+    @property
+    def isotopes_masses(self):
+        return {67: 66.928202, 68: 67.927980, 69: 68.925581, 71: 70.924705}
+
+    @property
+    def _common_valences(self):
+        return 0, 3
+
+    @property
+    def _valences_exceptions(self):
+        return ((3, False, 0, ()),
+                (0, False, 0, ((1, 'Cl'),)), (0, False, 0, ((1, 'Br'),)), (0, False, 0, ((1, 'I'),)),
+                (-1, False, 0, ((1, 'H'), (1, 'H'), (1, 'H'), (1, 'H'))),
+                (-1, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (-1, False, 0, ((1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'))),
+                (-1, False, 0, ((1, 'Br'), (1, 'Br'), (1, 'Br'), (1, 'Br'))),
+                (-1, False, 0, ((1, 'I'), (1, 'I'), (1, 'I'), (1, 'I'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.36
+
+    @property
+    def mdl_isotope(self):
+        return 70
+
+
+class In(Element, PeriodV, GroupXIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 49
+
+    @property
+    def isotopes_distribution(self):
+        return {111: 0., 113: 0.0429, 115: 0.9571}
+
+    @property
+    def isotopes_masses(self):
+        return {111: 110.905103, 113: 112.904061, 115: 114.903878}
+
+    @property
+    def _common_valences(self):
+        return 0, 3
+
+    @property
+    def _valences_exceptions(self):
+        return ((3, False, 0, ()),
+                (0, False, 0, ((1, 'Cl'),)), (0, False, 0, ((1, 'Br'),)), (0, False, 0, ((1, 'I'),)),
+                (0, False, 0, ((1, 'O'),)))
+
+    @property
+    def atomic_radius(self):
+        return 1.56
+
+    @property
+    def mdl_isotope(self):
+        return 115
+
+
+class Tl(Element, PeriodVI, GroupXIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 81
+
+    @property
+    def isotopes_distribution(self):
+        return {203: 0.29524, 205: 0.70476}
+
+    @property
+    def isotopes_masses(self):
+        return {203: 202.972329, 205: 204.974412}
+
+    @property
+    def _common_valences(self):
+        return 0, 1
+
+    @property
+    def _valences_exceptions(self):
+        return ((1, False, 0, ()), (3, False, 0, ()),
+                (-3, False, 0, ((1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'))),
+                (1, False, 0, ((1, 'C'), (1, 'C'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.56
+
+    @property
+    def mdl_isotope(self):
+        return 204
+
+
+class Nh(Element, PeriodVII, GroupXIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 113
+
+    @property
+    def isotopes_distribution(self):
+        return {286: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {286: 286.182555}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.56  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 278
+
+
+__all__ = ['B', 'Al', 'Ga', 'In', 'Tl', 'Nh']