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Chemical Data Processing Library Python API - Version 1.1.1
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Chemical Data Processing Library Python API - Version 1.1.1
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Provides constants for the specification of Universal Force Field (UFF) atom types. More...
Inheritance diagram for CDPL.ForceField.UFFAtomType:Static Public Attributes | |
| int | NONE = 0 |
| Atom with no matching UFF atom type. | |
| int | H = 1 |
| int | H_b = 2 |
| Hydrogen bridging between two boron atoms. | |
| int | He_4_4 = 3 |
| int | Li = 4 |
| int | Be_3_2 = 5 |
| int | B_3 = 6 |
| int | B_2 = 7 |
| int | C_3 = 8 |
| int | C_R = 9 |
| int | C_2 = 10 |
| int | C_1 = 11 |
| int | N_3 = 12 |
| int | N_R = 13 |
| int | N_2 = 14 |
| int | N_1 = 15 |
| int | O_3 = 16 |
| int | O_3_z = 17 |
| Oxygen in a zeolite framework. | |
| int | O_R = 18 |
| int | O_2 = 19 |
| int | O_1 = 20 |
| int | F = 21 |
| int | Ne_4_4 = 22 |
| int | Na = 23 |
| int | Mg_3_2 = 24 |
| int | Al_3 = 25 |
| int | Si_3 = 26 |
| int | P_3_3 = 27 |
| int | P_3_5 = 28 |
| int | P_3_q = 29 |
| int | S_3_2 = 30 |
| int | S_3_4 = 31 |
| int | S_3_6 = 32 |
| int | S_R = 33 |
| int | S_2 = 34 |
| int | Cl = 35 |
| int | Ar_4_4 = 36 |
| int | K = 37 |
| int | Ca_6_2 = 38 |
| int | Sc_3_3 = 39 |
| int | Ti_3_4 = 40 |
| int | Ti_6_4 = 41 |
| int | V_3_5 = 42 |
| int | Cr_6_3 = 43 |
| int | Mn_6_2 = 44 |
| int | Fe_3_2 = 45 |
| int | Fe_6_2 = 46 |
| int | Co_6_3 = 47 |
| int | Ni_4_2 = 48 |
| int | Cu_3_1 = 49 |
| int | Zn_3_2 = 50 |
| int | Ga_3_3 = 51 |
| int | Ge_3 = 52 |
| int | As_3_3 = 53 |
| int | Se_3_2 = 54 |
| int | Br = 55 |
| int | Kr_4_4 = 56 |
| int | Rb = 57 |
| int | Sr_6_2 = 58 |
| int | Y_3_3 = 59 |
| int | Zr_3_4 = 60 |
| int | Nb_3_5 = 61 |
| int | Mo_6_6 = 62 |
| int | Mo_3_6 = 63 |
| int | Tc_6_5 = 64 |
| int | Ru_6_2 = 65 |
| int | Rh_6_3 = 66 |
| int | Pd_4_2 = 67 |
| int | Ag_1_1 = 68 |
| int | Cd_3_2 = 69 |
| int | In_3_3 = 70 |
| int | Sn_3 = 71 |
| int | Sb_3_3 = 72 |
| int | Te_3_2 = 73 |
| int | I = 74 |
| int | Xe_4_4 = 75 |
| int | Cs = 76 |
| int | Ba_6_2 = 77 |
| int | La_3_3 = 78 |
| int | Ce_6_3 = 79 |
| int | Pr_6_3 = 80 |
| int | Nd_6_3 = 81 |
| int | Pm_6_3 = 82 |
| int | Sm_6_3 = 83 |
| int | Eu_6_3 = 84 |
| int | Gd_6_3 = 85 |
| int | Tb_6_3 = 86 |
| int | Dy_6_3 = 87 |
| int | Ho_6_3 = 88 |
| int | Er_6_3 = 89 |
| int | Tm_6_3 = 90 |
| int | Yb_6_3 = 91 |
| int | Lu_6_3 = 92 |
| int | Hf_3_4 = 93 |
| int | Ta_3_5 = 94 |
| int | W_6_6 = 95 |
| int | W_3_4 = 96 |
| int | W_3_6 = 97 |
| int | Re_6_5 = 98 |
| int | Re_3_7 = 99 |
| int | Os_6_6 = 100 |
| int | Ir_6_3 = 101 |
| int | Pt_4_2 = 102 |
| int | Au_4_3 = 103 |
| int | Hg_1_2 = 104 |
| int | Tl_3_3 = 105 |
| int | Pb_3 = 106 |
| int | Bi_3_3 = 107 |
| int | Po_3_2 = 108 |
| int | At = 109 |
| int | Rn_4_4 = 110 |
| int | Fr = 111 |
| int | Ra_6_2 = 112 |
| int | Ac_6_3 = 113 |
| int | Th_6_4 = 114 |
| int | Pa_6_4 = 115 |
| int | U_6_4 = 116 |
| int | Np_6_4 = 117 |
| int | Pu_6_4 = 118 |
| int | Am_6_4 = 119 |
| int | Cm_6_3 = 120 |
| int | Bk_6_3 = 121 |
| int | Cf_6_3 = 122 |
| int | Es_6_3 = 123 |
| int | Fm_6_3 = 124 |
| int | Md_6_3 = 125 |
| int | No_6_3 = 126 |
| int | Lr_6_3 = 127 |
| int | MAX_TYPE = 127 |
Provides constants for the specification of Universal Force Field (UFF) atom types.
1.8.20