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...
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.