chython 2.4__cp312-cp312-win_amd64.whl

chython/periodictable/groupXVII.py

@@ -0,0 +1,324 @@
+# -*- 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 GroupXVII
+from .base.periods import PeriodII, PeriodIII, PeriodIV, PeriodV, PeriodVI, PeriodVII
+
+
+class F(Element, PeriodII, GroupXVII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 9
+
+    @property
+    def isotopes_distribution(self):
+        return {17: 0., 18: 0., 19: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {17: 17.002095, 18: 18.000938, 19: 18.998403}
+
+    @property
+    def _common_valences(self):
+        return 1,
+
+    @property
+    def _valences_exceptions(self):
+        return (-1, False, 0, ()),
+
+    @property
+    def atomic_radius(self):
+        return .42
+
+    @property
+    def mdl_isotope(self):
+        return 19
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+
+class Cl(Element, PeriodIII, GroupXVII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 17
+
+    @property
+    def isotopes_distribution(self):
+        return {35: 0.7578, 36: 0., 37: 0.2422}
+
+    @property
+    def isotopes_masses(self):
+        return {35: 34.968853, 36: 35.968307, 37: 36.965903}
+
+    @property
+    def _common_valences(self):
+        return 1,
+
+    @property
+    def _valences_exceptions(self):
+        return ((-1, False, 0, ()),
+                (-1, False, 0, ((1, 'Cl'), (1, 'I'))),  # [I-Cl-Cl]-
+
+                (0, False, 0, ((1, 'O'), (2, 'O'))),  # HClO2
+                (0, False, 0, ((1, 'O'), (2, 'O'), (2, 'O'))),  # HClO3
+                (0, False, 0, ((1, 'O'), (2, 'O'), (2, 'O'), (2, 'O'))),  # HClO4
+
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'))),  # ClF3
+
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),  # ClF5
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (2, 'O'))),  # ClOF3
+                (0, False, 0, ((1, 'F'), (2, 'O'), (2, 'O'))))  # ClO2F
+
+    @property
+    def atomic_radius(self):
+        return .79
+
+    @property
+    def mdl_isotope(self):
+        return 35
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+    @property
+    def is_forming_double_bonds(self):
+        return True
+
+
+class Br(Element, PeriodIV, GroupXVII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 35
+
+    @property
+    def isotopes_distribution(self):
+        return {76: 0., 77: 0., 79: 0.5069, 81: 0.4931, 82: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {76: 75.924541, 77: 76.921379, 79: 78.918338, 81: 80.916291, 82: 81.916804}
+
+    @property
+    def _common_valences(self):
+        return 1,
+
+    @property
+    def _valences_exceptions(self):
+        return ((-1, False, 0, ()),
+                (-1, False, 0, ((1, 'Br'), (1, 'I'))),  # [I-Br-Br]-
+                (-1, False, 0, ((1, 'Br'), (1, 'Br'))),  # [Br-Br-Br]-
+                (-1, False, 0, ((1, 'Br'), (1, 'Cl'))),  # [Br-Br-Cl]-
+                (-1, False, 0, ((1, 'Cl'), (1, 'Cl'))),  # [Cl-Br-Cl]-
+                (-1, False, 0, ((1, 'I'), (1, 'I'))),  # [I-Br-I]-
+
+                (0, False, 0, ((1, 'O'), (2, 'O'))),  # HBrO2
+                (0, False, 0, ((1, 'O'), (2, 'O'), (2, 'O'))),  # HBrO3
+                (0, False, 0, ((1, 'O'), (2, 'O'), (2, 'O'), (2, 'O'))),  # HBrO4
+
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'))),  # Br(OX)3
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'))),  # BrF3
+
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),  # BrF5
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (2, 'O'))),  # BrOF3
+                (0, False, 0, ((1, 'F'), (2, 'O'), (2, 'O'))),  # BrO2F
+
+                (0, False, 0, ((1, 'F'), (2, 'O'), (2, 'O'), (2, 'O'))))  # BrO3F
+
+    @property
+    def atomic_radius(self):
+        return 0.94
+
+    @property
+    def mdl_isotope(self):
+        return 80
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+    @property
+    def is_forming_double_bonds(self):
+        return True
+
+
+class I(Element, PeriodV, GroupXVII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 53
+
+    @property
+    def isotopes_distribution(self):
+        return {123: 0., 124: 0., 125: 0., 127: 1.0, 129: 0., 131: 0., 135: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {123: 122.905589, 124: 123.906210, 125: 124.904630, 127: 126.904468, 129: 128.904988, 131: 130.906125,
+                135: 134.910048}
+
+    @property
+    def _common_valences(self):
+        return 1,
+
+    @property
+    def _valences_exceptions(self):
+        return ((-1, False, 0, ()),
+                (-1, False, 0, ((1, 'I'), (1, 'I'))),  # [I-I-I]-
+                (-1, False, 0, ((1, 'I'), (1, 'Br'))),  # [I-I-Br]-
+                (-1, False, 0, ((1, 'Cl'), (1, 'Cl'))),  # [Cl-I-Cl]-
+                (1, False, 0, ((1, 'C'), (1, 'C'))),
+
+                (0, False, 0, ((1, 'O'), (2, 'O'))),  # HIO2
+                (0, False, 0, ((1, 'C'), (2, 'O'))),
+                (0, False, 0, ((1, 'C'), (2, 'C'))),
+                (0, False, 0, ((1, 'C'), (2, 'N'))),
+                (0, False, 0, ((1, 'O'), (2, 'O'), (2, 'O'))),  # HIO3
+                (0, False, 0, ((1, 'O'), (2, 'O'), (2, 'O'), (2, 'O'))),  # HIO4
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'), (2, 'O'), (2, 'O'))),  # H3IO5
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'), (1, 'O'), (1, 'O'), (2, 'O'))),  # H5IO6
+
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'))),  # I(OX)3
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'))),  # IHal3
+                (0, False, 0, ((1, 'Cl'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'Br'), (1, 'Br'), (1, 'Br'))),
+                (0, False, 0, ((1, 'C'), (1, 'O'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'C'), (1, 'O'), (1, 'C'))),
+                (0, False, 0, ((1, 'C'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((1, 'C'), (1, 'O'), (1, 'N'))),
+                (0, False, 0, ((1, 'C'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((1, 'C'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'C'))),
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'N'))),
+
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),  # IF5
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (2, 'O'))),  # IOF3
+                (0, False, 0, ((1, 'F'), (2, 'O'), (2, 'O'))),  # IO2F
+                (0, False, 0, ((1, 'C'), (2, 'O'), (2, 'O'))),
+                (0, False, 0, ((1, 'C'), (1, 'O'), (1, 'O'), (2, 'O'))),
+                (0, False, 0, ((1, 'C'), (1, 'O'), (1, 'O'), (1, 'O'), (1, 'O'))),
+
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),  # IF7
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (2, 'O'))),  # IOF5
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (2, 'O'), (2, 'O'))),  # IO2F3
+                (0, False, 0, ((1, 'F'), (2, 'O'), (2, 'O'), (2, 'O'))))  # IO3F
+
+    @property
+    def atomic_radius(self):
+        return 1.15
+
+    @property
+    def mdl_isotope(self):
+        return 127
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+    @property
+    def is_forming_double_bonds(self):
+        return True
+
+
+class At(Element, PeriodVI, GroupXVII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 85
+
+    @property
+    def isotopes_distribution(self):
+        return {210: 1.0, 211: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {210: 209.987155, 211: 210.987496}
+
+    @property
+    def _common_valences(self):
+        return 0, 1
+
+    @property
+    def _valences_exceptions(self):
+        return ((1, False, 0, ()), (-1, False, 0, ()),
+                (0, False, 0, ((1, 'O'), (2, 'O'), (2, 'O'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.27
+
+    @property
+    def mdl_isotope(self):
+        return 210
+
+    @property
+    def is_forming_single_bonds(self):
+        return True
+
+    @property
+    def is_forming_double_bonds(self):
+        return True
+
+
+class Ts(Element, PeriodVII, GroupXVII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 117
+
+    @property
+    def isotopes_distribution(self):
+        return {293: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {293: 293.0}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.27  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 297
+
+
+__all__ = ['F', 'Cl', 'Br', 'I', 'At', 'Ts']

chython/periodictable/groupXVIII.py

@@ -0,0 +1,260 @@
+# -*- 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 GroupXVIII
+from .base.periods import *
+
+
+class He(Element, PeriodI, GroupXVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 2
+
+    @property
+    def isotopes_distribution(self):
+        return {3: 1e-06, 4: 0.999999}
+
+    @property
+    def isotopes_masses(self):
+        return {3: 3.016029, 4: 4.002603}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return .31
+
+    @property
+    def mdl_isotope(self):
+        return 4
+
+
+class Ne(Element, PeriodII, GroupXVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 10
+
+    @property
+    def isotopes_distribution(self):
+        return {20: 0.9048, 21: 0.0027, 22: 0.0925}
+
+    @property
+    def isotopes_masses(self):
+        return {20: 19.99244, 21: 20.993847, 22: 21.991386}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return .38
+
+    @property
+    def mdl_isotope(self):
+        return 20
+
+
+class Ar(Element, PeriodIII, GroupXVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 18
+
+    @property
+    def isotopes_distribution(self):
+        return {36: 0.003365, 38: 0.000632, 40: 0.996003}
+
+    @property
+    def isotopes_masses(self):
+        return {36: 35.967546, 38: 37.962732, 40: 39.962383}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return .71
+
+    @property
+    def mdl_isotope(self):
+        return 40
+
+
+class Kr(Element, PeriodIV, GroupXVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 36
+
+    @property
+    def isotopes_distribution(self):
+        return {78: 0.0035, 80: 0.0228, 81: 0., 82: 0.1158, 83: 0.1149, 84: 0.57, 86: 0.173}
+
+    @property
+    def isotopes_masses(self):
+        return {78: 77.920386, 80: 79.916378, 81: 80.916592, 82: 81.913485, 83: 82.914136, 84: 83.911507, 86: 85.91061}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return .87
+
+    @property
+    def mdl_isotope(self):
+        return 84
+
+
+class Xe(Element, PeriodV, GroupXVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 54
+
+    @property
+    def isotopes_distribution(self):
+        return {124: 0.0009, 126: 0.0009, 127: 0., 128: 0.0192, 129: 0.2644, 130: 0.0408, 131: 0.2118, 132: 0.2689,
+                133: 0., 134: 0.1044, 136: 0.0887}
+
+    @property
+    def isotopes_masses(self):
+        return {124: 123.905896, 126: 125.904269, 127: 126.905184, 128: 127.90353, 129: 128.904779, 130: 129.903508,
+                131: 130.905082, 132: 131.904155, 133: 132.905911, 134: 133.905394, 136: 135.90722}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        # XeF2, XeF4, XeF6, XeO3, XeO4, XeO2F2, XeOF4, XeO3F2, [XeO6]4-
+        return ((0, False, 0, ((1, 'F'), (1, 'F'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'), (1, 'O'), (2, 'O'), (2, 'O'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.08
+
+    @property
+    def mdl_isotope(self):
+        return 131
+
+
+class Rn(Element, PeriodVI, GroupXVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 86
+
+    @property
+    def isotopes_distribution(self):
+        return {222: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {222: 222.017578}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return (0, False, 0, ((1, 'F'), (1, 'F'))), (1, False, 0, ((1, 'F'),))
+
+    @property
+    def atomic_radius(self):
+        return 1.2
+
+    @property
+    def mdl_isotope(self):
+        return 222
+
+
+class Og(Element, PeriodVII, GroupXVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 118
+
+    @property
+    def isotopes_distribution(self):
+        return {294: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {294: 294.0}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.2  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 294
+
+
+__all__ = ['He', 'Ne', 'Ar', 'Kr', 'Xe', 'Rn', 'Og']

chython/reactor/__init__.py

@@ -0,0 +1,24 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2021, 2022 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 .reactor import Reactor
+from .transformer import Transformer
+
+# Note: don't import [de]protection and other predefined reactors to prevent imports crashing!
+
+__all__ = ['Transformer', 'Reactor']