chython 2.19__cp313-cp313-win_amd64.whl

chython/periodictable/groupVI.py

@@ -0,0 +1,183 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2019-2026 Ramil Nugmanov <nougmanoff@protonmail.com>
+#  Copyright 2019 Tagir Akhmetshin <tagirshin@gmail.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 GroupVI
+from .base.periods import PeriodIV, PeriodV, PeriodVI, PeriodVII
+
+
+class Cr(Element, PeriodIV, GroupVI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 24
+
+    @property
+    def isotopes_distribution(self):
+        return {50: 0.04345, 51: 0., 52: 0.83789, 53: 0.09501, 54: 0.02365}
+
+    @property
+    def isotopes_masses(self):
+        return {50: 49.946050, 51: 50.944767, 52: 51.940512, 53: 52.940654, 54: 53.938885}
+
+    @property
+    def _common_valences(self):
+        return 0, 2, 3
+
+    @property
+    def _valences_exceptions(self):
+        return ((2, False, 0, ()), (3, False, 0, ()),
+                (0, False, 0, ((2, 'O'), (2, 'O'))),  # CrO2
+                (0, False, 0, ((2, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),  # CrF4
+                (0, False, 0, ((1, 'C'), (1, 'C'), (1, 'C'), (1, 'C'))),  # CrC4
+
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'Cl'), (1, 'Cl'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.66
+
+    @property
+    def mdl_isotope(self):
+        return 52
+
+
+class Mo(Element, PeriodV, GroupVI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 42
+
+    @property
+    def isotopes_distribution(self):
+        return {92: 0.1484, 94: 0.0925, 95: 0.1592, 96: 0.1668, 97: 0.0955, 98: 0.2413, 99: 0., 100: 0.0963}
+
+    @property
+    def isotopes_masses(self):
+        return {92: 91.906810, 94: 93.905088, 95: 94.905841, 96: 95.904679, 97: 96.906021, 98: 97.905408, 99: 98.907712,
+                100: 99.907477}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ((0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (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, ((2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'S'), (2, 'S'))),
+
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'Br'), (1, 'Br'), (1, 'Br'), (1, 'Br'), (1, 'Br'))),
+
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'O'))),
+
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((2, 'O'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.90
+
+    @property
+    def mdl_isotope(self):
+        return 96
+
+
+class W(Element, PeriodVI, GroupVI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 74
+
+    @property
+    def isotopes_distribution(self):
+        return {180: 0.0012, 182: 0.265, 183: 0.1431, 184: 0.3064, 186: 0.2843}
+
+    @property
+    def isotopes_masses(self):
+        return {180: 179.946706, 182: 181.948206, 183: 182.950224, 184: 183.950933, 186: 185.954362}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ((0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'O'))),
+
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),
+                (0, False, 0, ((1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((2, 'O'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.93
+
+    @property
+    def mdl_isotope(self):
+        return 184
+
+
+class Sg(Element, PeriodVII, GroupVI):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 106
+
+    @property
+    def isotopes_distribution(self):
+        return {269: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {269: 269.128634}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.93  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 269
+
+
+__all__ = ['Cr', 'Mo', 'W', 'Sg']

chython/periodictable/groupVII.py

@@ -0,0 +1,162 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2019-2026 Ramil Nugmanov <nougmanoff@protonmail.com>
+#  Copyright 2019 Tagir Akhmetshin <tagirshin@gmail.com>
+#  Copyright 2019 Alexander Nikanshin <17071996sasha@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 GroupVII
+from .base.periods import PeriodIV, PeriodV, PeriodVI, PeriodVII
+
+
+class Mn(Element, PeriodIV, GroupVII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 25
+
+    @property
+    def isotopes_distribution(self):
+        return {52: 0., 55: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {52: 51.945566, 55: 54.938050}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return ((2, False, 0, ()), (3, False, 0, ()),
+                (0, False, 0, ((2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'),)),  # MnO
+                (0, False, 0, ((2, 'O'), (1, 'O'))),  # Mn2O3
+                (0, False, 0, ((1, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'))),  # MnO2
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'O'))),  # [MnO4]2-
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'), (1, 'O'))))  # [MnO4]-
+
+    @property
+    def atomic_radius(self):
+        return 1.61
+
+    @property
+    def mdl_isotope(self):
+        return 55
+
+
+class Tc(Element, PeriodV, GroupVII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 43
+
+    @property
+    def isotopes_distribution(self):
+        return {98: 0., 99: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {98: 97.907216, 99: 98.906255}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ((0, False, 0, ((2, 'O'), (2, 'O'))),  # TcO2
+                (0, False, 0, ((2, 'S'), (2, 'S'))))  # TcS2
+
+    @property
+    def atomic_radius(self):
+        return 1.83
+
+    @property
+    def mdl_isotope(self):
+        return 98
+
+
+class Re(Element, PeriodVI, GroupVII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 75
+
+    @property
+    def isotopes_distribution(self):
+        return {185: 0.374, 186: 0., 187: 0.626, 188: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {185: 184.952956, 186: 185.954986, 187: 186.955751, 188: 187.958114}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.88
+
+    @property
+    def mdl_isotope(self):
+        return 186
+
+
+class Bh(Element, PeriodVII, GroupVII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 107
+
+    @property
+    def isotopes_distribution(self):
+        return {270: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {270: 270.133363}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.88  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 270
+
+
+__all__ = ['Mn', 'Tc', 'Re', 'Bh']

chython/periodictable/groupVIII.py

@@ -0,0 +1,161 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2019-2026 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 GroupVIII
+from .base.periods import PeriodIV, PeriodV, PeriodVI, PeriodVII
+
+
+class Fe(Element, PeriodIV, GroupVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 26
+
+    @property
+    def isotopes_distribution(self):
+        return {54: 0.05845, 55: 0., 56: 0.91754, 57: 0.02119, 58: 0.00282, 59: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {54: 53.939615, 55: 54.938293, 56: 55.934942, 57: 56.935399, 58: 57.933281, 59: 58.934876}
+
+    @property
+    def _common_valences(self):
+        return 0, 2, 3
+
+    @property
+    def _valences_exceptions(self):
+        return (2, False, 0, ()), (3, False, 0, ())
+
+    @property
+    def atomic_radius(self):
+        return 1.56
+
+    @property
+    def mdl_isotope(self):
+        return 56
+
+
+class Ru(Element, PeriodV, GroupVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 44
+
+    @property
+    def isotopes_distribution(self):
+        return {96: 0.0554, 98: 0.0187, 99: 0.1276, 100: 0.126, 101: 0.1706, 102: 0.3155, 104: 0.1862, 106: 0.}
+
+    @property
+    def isotopes_masses(self):
+        return {96: 95.907598, 98: 97.905287, 99: 98.905939, 100: 99.90422, 101: 100.905582, 102: 101.904349,
+                104: 103.90543, 106: 105.907329}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ((0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'), (2, 'O'))),  # RuO4
+                (0, False, 0, ((1, 'O'), (2, 'O'), (2, 'O'), (2, 'O'))),  # [RuO4]-
+                (0, False, 0, ((2, 'C'), (1, 'Cl'), (1, 'Cl'))),  # Grubbs
+                (0, False, 0, ((2, 'C'), (1, 'C'), (1, 'Cl'), (1, 'Cl'))))  # Hoveyda–Grubbs
+
+    @property
+    def atomic_radius(self):
+        return 1.78
+
+    @property
+    def mdl_isotope(self):
+        return 101
+
+
+class Os(Element, PeriodVI, GroupVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 76
+
+    @property
+    def isotopes_distribution(self):
+        return {184: 0.0002, 186: 0.0159, 187: 0.0196, 188: 0.1324, 189: 0.1615, 190: 0.2626, 191: 0., 192: 0.4078}
+
+    @property
+    def isotopes_masses(self):
+        return {184: 183.952491, 186: 185.953838, 187: 186.955748, 188: 187.955836, 189: 188.958145, 190: 189.958445,
+                191: 190.960930, 192: 191.961479}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ((0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'))),
+                (0, False, 0, ((2, 'O'), (2, 'O'), (1, 'O'), (1, 'O'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.85
+
+    @property
+    def mdl_isotope(self):
+        return 190
+
+
+class Hs(Element, PeriodVII, GroupVIII):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 108
+
+    @property
+    def isotopes_distribution(self):
+        return {240: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {270: 270.134293}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.85  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 270
+
+
+__all__ = ['Fe', 'Ru', 'Os', 'Hs']

chython/periodictable/groupX.py

@@ -0,0 +1,166 @@
+# -*- coding: utf-8 -*-
+#
+#  Copyright 2019-2026 Ramil Nugmanov <nougmanoff@protonmail.com>
+#  Copyright 2019 Tagir Akhmetshin <tagirshin@gmail.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 GroupX
+from .base.periods import PeriodIV, PeriodV, PeriodVI, PeriodVII
+
+
+class Ni(Element, PeriodIV, GroupX):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 28
+
+    @property
+    def isotopes_distribution(self):
+        return {58: 0.680769, 60: 0.262231, 61: 0.011399, 62: 0.036345, 63: 0., 64: 0.009256}
+
+    @property
+    def isotopes_masses(self):
+        return {58: 57.935348, 60: 59.930791, 61: 60.931060, 62: 61.928349, 63: 62.929669, 64: 63.927970}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return ((2, False, 0, ()),
+                (1, False, 0, ((1, 'C'),)),
+                (0, False, 0, ((2, 'O'), (1, 'O'))))  # Ni2O3
+
+    @property
+    def atomic_radius(self):
+        return 1.49
+
+    @property
+    def mdl_isotope(self):
+        return 59
+
+
+class Pd(Element, PeriodV, GroupX):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 46
+
+    @property
+    def isotopes_distribution(self):
+        return {102: 0.0102, 103: 0., 104: 0.1114, 105: 0.2233, 106: 0.2733, 108: 0.2646, 109: 0., 110: 0.1172}
+
+    @property
+    def isotopes_masses(self):
+        return {102: 101.905608, 103: 102.906087, 104: 103.904035, 105: 104.905084, 106: 105.903483, 108: 107.903894,
+                109: 108.905950, 110: 109.905152}
+
+    @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'))),  # [Pd(OH)4]2-
+                (-2, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),  # [PdF4]2-
+                (-2, False, 0, ((1, 'Cl'), (1, 'Cl'), (1, 'Cl'), (1, 'Cl'))))  # [PdCl4]2-
+
+    @property
+    def atomic_radius(self):
+        return 1.69
+
+    @property
+    def mdl_isotope(self):
+        return 106
+
+
+class Pt(Element, PeriodVI, GroupX):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 78
+
+    @property
+    def isotopes_distribution(self):
+        return {190: 0.00014, 192: 0.00782, 194: 0.32967, 195: 0.33832, 196: 0.25242, 198: 0.07163}
+
+    @property
+    def isotopes_masses(self):
+        return {190: 189.95993, 192: 191.961035, 194: 193.962664, 195: 194.964774, 196: 195.964935, 198: 197.967876}
+
+    @property
+    def _common_valences(self):
+        return 0, 2
+
+    @property
+    def _valences_exceptions(self):
+        return ((2, False, 0, ()),
+                (0, False, 0, ((1, 'N'), (1, 'N'), (1, 'Cl'), (1, 'Cl'))),
+                (0, False, 0, ((1, 'N'), (1, 'N'), (1, 'O'), (1, 'O'))),
+                (0, False, 0, ((1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'), (1, 'F'))),  # PtF6
+                (0, False, 0, ((2, 'O'), (2, 'O'), (2, 'O'))),  # PtO3
+                (0, False, 0, ((2, 'O'), (2, 'O'))))
+
+    @property
+    def atomic_radius(self):
+        return 1.77
+
+    @property
+    def mdl_isotope(self):
+        return 195
+
+
+class Ds(Element, PeriodVII, GroupX):
+    __slots__ = ()
+
+    @property
+    def atomic_number(self):
+        return 110
+
+    @property
+    def isotopes_distribution(self):
+        return {281: 1.0}
+
+    @property
+    def isotopes_masses(self):
+        return {281: 281.164516}
+
+    @property
+    def _common_valences(self):
+        return 0,
+
+    @property
+    def _valences_exceptions(self):
+        return ()
+
+    @property
+    def atomic_radius(self):
+        return 1.77  # unknown, taken radius of previous element in group
+
+    @property
+    def mdl_isotope(self):
+        return 281
+
+
+__all__ = ['Ni', 'Pd', 'Pt', 'Ds']