chython 2.4__cp312-cp312-win_amd64.whl

chython/periodictable/groupXVI.py

@@ -0,0 +1,457 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2019-2024 Ramil Nugmanov <nougmanoff@protonmail.com>
+#  Copyright 2019 Dayana Bashirova <dayana.bashirova@yandex.ru>
+#  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 GroupXVI
+from .base.periods import PeriodII, PeriodIII, PeriodIV, PeriodV, PeriodVI, PeriodVII
+
+
+class O(Element, PeriodII, GroupXVI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 8
+
+    @property
+    def isotopes_distribution(self):
+        return {15: 0., 16: 0.99757, 17: 0.00038, 18: 0.00205}
+
+    @property
+    def isotopes_masses(self):
+        return {15: 15.003065, 16: 15.994915, 17: 16.999132, 18: 17.99916}
+
+    @property
+    def _common_valences(self):
+        return 2,
+
+    @property
+    def _valences_exceptions(self):
+        return (-1, False, 1, ()), (-2, False, 0, ()), (0, True, 1, ()), (1, False, 3, ())
+
+    @property
+    def atomic_radius(self):
+        return .48
+
+    @property
+    def mdl_isotope(self):
+        return 16
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+    @property
+    def is_forming_double_bonds(self):
+        return True
+
+
+class S(Element, PeriodIII, GroupXVI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 16
+
+    @property
+    def isotopes_distribution(self):
+        return {32: 0.9493, 33: 0.0076, 34: 0.0429, 35: 0., 36: 0.0002}
+
+    @property
+    def isotopes_masses(self):
+        return {32: 31.972071, 33: 32.971458, 34: 33.967867, 35: 34.969032, 36: 35.967081}
+
+    @property
+    def _common_valences(self):
+        return 2,
+
+    @property
+    def _valences_exceptions(self):
+        return ((-1, False, 1, ()), (-2, False, 0, ()),  # anions
+                (0, True, 1, ()), (0, True, 3, ()),  # radical OGB-dataset
+                (0, False, 0, ()),  # elemental
+
+                (1, False, 0, ((2, 'C'), (1, 'C'))),
+                (1, False, 0, ((2, 'C'), (1, 'S'))),
+                (1, False, 0, ((2, 'N'), (1, 'C'))),
+
+                (1, False, 0, ((1, 'C'), (1, 'C'), (1, 'C'))),
+                (1, False, 0, ((1, 'C'), (1, 'C'), (1, 'B'))),
+                (1, False, 0, ((1, 'C'), (1, 'C'), (1, 'O'))),
+                (1, False, 0, ((1, 'C'), (1, 'C'), (1, 'N'))),
+
+                (1, False, 0, ((2, 'O'), (1, 'C'), (1, 'C'), (1, 'C'))),
+                (1, False, 0, ((2, 'O'), (1, 'C'), (1, 'C'), (1, 'N'))),
+
+                (0, False, 0, ((2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'N'))),
+                (0, False, 0, ((2, 'N'), (2, 'N'))),
+                (0, False, 0, ((2, 'O'), (2, 'C'))),
+                (0, False, 0, ((2, 'C'), (2, 'C'))),
+                (0, False, 0, ((2, 'C'), (2, 'N'))),
+
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'S'))),
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'N'))),
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'Br'))),
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'C'))),
+
+                (0, False, 0, ((2, 'O'), (1, 'N'), (1, 'N'))),
+                (0, False, 0, ((2, 'O'), (1, 'N'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (1, 'N'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (1, 'N'), (1, 'S'))),
+
+                (0, False, 0, ((2, 'O'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (1, 'Br'), (1, 'Br'))),
+
+                (0, False, 0, ((2, 'O'), (1, 'S'), (1, 'S'))),
+
+                (0, False, 0, ((2, 'O'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (1, 'C'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (1, 'C'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (1, 'C'), (1, 'Br'))),
+                (0, False, 0, ((2, 'O'), (1, 'C'), (1, 'S'))),
+                (0, False, 0, ((2, 'O'), (1, 'C'), (1, 'P'))),
+
+                (0, False, 0, ((2, 'N'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((2, 'N'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'N'), (1, 'C'), (1, 'O'))),
+                (0, False, 0, ((2, 'N'), (1, 'C'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'N'), (1, 'C'), (1, 'S'))),
+                (0, False, 0, ((2, 'N'), (1, 'N'), (1, 'C'))),
+                (0, False, 0, ((2, 'N'), (1, 'N'), (1, 'N'))),
+                (0, False, 0, ((2, 'N'), (1, 'N'), (1, 'O'))),
+                (0, False, 0, ((2, 'N'), (1, 'O'), (1, 'O'))),
+
+                (0, False, 0, ((2, 'C'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'C'), (1, 'C'), (1, 'F'))),
+                (0, False, 0, ((2, 'C'), (1, 'C'), (1, 'S'))),
+                (0, False, 0, ((2, 'C'), (1, 'C'), (1, 'N'))),
+                (0, False, 0, ((2, 'C'), (1, 'S'), (1, 'S'))),
+                (0, False, 0, ((2, 'C'), (1, 'S'), (1, 'N'))),
+                (0, False, 0, ((2, 'C'), (1, 'N'), (1, 'N'))),
+                (0, False, 0, ((2, 'C'), (1, 'O'), (1, 'O'))),
+
+                (0, False, 0, ((2, 'S'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'S'), (1, 'C'), (1, 'O'))),
+                (0, False, 0, ((2, 'S'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'S'), (1, 'C'), (1, 'N'))),
+                (0, False, 0, ((2, 'S'), (1, 'C'), (1, 'S'))),
+
+                (0, False, 0, ((1, 'N'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((1, 'F'), (1, 'C'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'C'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+
+                (0, False, 0, ((1, 'O'), (1, 'C'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'), (1, 'C'))),
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'), (1, 'N'))),
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'N'), (1, 'C'))),
+                (0, False, 0, ((1, 'O'), (1, 'N'), (1, 'C'), (1, 'C'))),
+
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'N'), (1, 'N'))),
+
+                (0, False, 0, ((1, 'S'), (1, 'C'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'C'), (1, 'I'))),
+
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'C'))),
+
+                # sulfat derivatives
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'N'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'S'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'Br'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'I'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'N'), (1, 'N'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'N'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'N'), (1, 'S'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'N'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'N'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'C'), (1, 'S'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'C'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'C'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'C'), (1, 'Br'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'C'), (1, 'I'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'Cl'), (1, 'F'))),
+
+                (0, False, 0, ((2, 'O'), (2, 'N'), (1, 'N'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'N'), (1, 'N'), (1, 'N'))),
+                (0, False, 0, ((2, 'O'), (2, 'N'), (1, 'N'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'N'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'N'), (1, 'O'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'N'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'N'), (1, 'C'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (2, 'N'), (1, 'C'), (1, 'F'))),
+
+                (0, False, 0, ((2, 'N'), (2, 'N'), (1, 'C'), (1, 'C'))),
+
+                # aci forms of tautomers
+                (0, False, 0, ((2, 'O'), (2, 'C'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'C'), (1, 'O'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'C'), (1, 'O'), (1, 'N'))),
+                (0, False, 0, ((2, 'O'), (2, 'C'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'C'), (1, 'N'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'C'), (1, 'N'), (1, 'N'))),
+
+                (0, False, 0, ((2, 'N'), (2, 'C'), (1, 'C'), (1, 'O'))),
+
+                (0, False, 0, ((2, 'O'), (2, 'S'), (1, 'O'), (1, 'O'))),  # [S2O3]2-
+                (0, False, 0, ((2, 'O'), (2, 'S'), (1, 'O'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'S'), (1, 'C'), (1, 'C'))),
+
+                (0, False, 0, ((2, 'S'), (2, 'S'), (1, 'O'), (1, 'O'))),
+
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'O'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'C'))))
+
+    @property
+    def atomic_radius(self):
+        return .87
+
+    @property
+    def mdl_isotope(self):
+        return 32
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+    @property
+    def is_forming_double_bonds(self):
+        return True
+
+
+class Se(Element, PeriodIV, GroupXVI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 34
+
+    @property
+    def isotopes_distribution(self):
+        return {73: 0., 74: 0.0089, 75: 0., 76: 0.0937, 77: 0.0763, 78: 0.2377, 80: 0.4961, 82: 0.0873}
+
+    @property
+    def isotopes_masses(self):
+        return {73: 72.926765, 74: 73.922477, 75: 74.922523, 76: 75.919214, 77: 76.919915, 78: 77.917310, 80: 79.916522,
+                82: 81.916700}
+
+    @property
+    def _common_valences(self):
+        return 2,
+
+    @property
+    def _valences_exceptions(self):
+        return ((-1, False, 1, ()), (-2, False, 0, ()),
+                (0, False, 0, ()),  # elemental
+                (1, False, 0, ((1, 'C'), (1, 'C'), (1, 'C'))),
+                (1, False, 0, ((1, 'C'), (2, 'C'))),
+
+                (0, False, 0, ((2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'S'), (2, 'S'))),
+                (0, False, 0, ((2, 'N'), (2, 'N'))),
+
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (1, 'N'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'C'))),
+
+                (0, False, 0, ((2, 'C'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'C'), (1, 'O'), (1, 'O'))),
+
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'Cl'), (1, 'O'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'Br'), (1, 'Br'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'Br'), (1, 'O'))),
+
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'C'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'N'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'N'), (1, 'C'), (1, 'O'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.03
+
+    @property
+    def mdl_isotope(self):
+        return 79
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+    @property
+    def is_forming_double_bonds(self):
+        return True
+
+
+class Te(Element, PeriodV, GroupXVI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 52
+
+    @property
+    def isotopes_distribution(self):
+        return {120: 0.0009, 122: 0.0255, 123: 0.0089, 124: 0.0474, 125: 0.0707, 126: 0.1884, 128: 0.3174, 130: 0.3408}
+
+    @property
+    def isotopes_masses(self):
+        return {120: 119.90402, 122: 121.903047, 123: 122.904273, 124: 123.90282, 125: 124.904425, 126: 125.903306,
+                128: 127.904461, 130: 129.906223}
+
+    @property
+    def _common_valences(self):
+        return 2,
+
+    @property
+    def _valences_exceptions(self):
+        return ((0, False, 0, ()),  # elemental,
+                (1, False, 0, ((1, 'C'), (1, 'C'), (1, 'C'))),
+                (-1, False, 0, ((1, 'C'), (1, 'O'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'))),
+                (1, False, 0, ((1, 'C'), (2, 'C'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'C'))),
+                (0, False, 0, ((2, 'O'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((1, 'C'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'Br'), (1, 'Br'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'O'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((1, 'C'), (1, 'O'), (1, 'Cl'), (1, 'Cl'))),
+
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'Cl'), (1, 'Cl'))),
+
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'), (1, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'O'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.23
+
+    @property
+    def mdl_isotope(self):
+        return 128
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+    @property
+    def is_forming_double_bonds(self):
+        return True
+
+
+class Po(Element, PeriodVI, GroupXVI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 84
+
+    @property
+    def isotopes_distribution(self):
+        return {210: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {210: 209.982874}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return ((0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'))),
+                (0, False, 0, ((1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'Br'), (1, 'Br'), (1, 'Br'), (1, 'Br'))),
+                (0, False, 0, ((1, 'I'), (1, 'I'), (1, 'I'), (1, 'I'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.35
+
+    @property
+    def mdl_isotope(self):
+        return 209
+
+
+class Lv(Element, PeriodVII, GroupXVI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 116
+
+    @property
+    def isotopes_distribution(self):
+        return {293: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {293: 293.204555}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.35  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 293
+
+
+__all__ = ['O', 'S', 'Se', 'Te', 'Po', 'Lv']