checkpointing.rst 2.7 KB

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  1. .. _api-checkpointing:
  2. *************
  3. Checkpointing
  4. *************
  5. BaseChkptMol
  6. ============
  7. Base class for checkpointed molecules.
  8. Not to be used directly. All times are in seconds.
  9. Attributes:
  10. ***********
  11. .. _BaseChkptMol__id:
  12. id: int
  13. -------
  14. .. _BaseChkptMol__species:
  15. species: Species
  16. ----------------
  17. .. _BaseChkptMol__diffusion_time:
  18. diffusion_time: float
  19. ---------------------
  20. .. _BaseChkptMol__birthday:
  21. birthday: float
  22. ---------------
  23. .. _BaseChkptMol__flags:
  24. flags: int
  25. ----------
  26. .. _BaseChkptMol__unimol_rxn_time:
  27. unimol_rxn_time: float
  28. ----------------------
  29. | - default argument value in constructor: None
  30. ChkptSurfMol
  31. ============
  32. Class representing a checkpointed surface molecule.
  33. Not to be used directly.
  34. Attributes:
  35. ***********
  36. .. _ChkptSurfMol__pos:
  37. pos: Vec2
  38. ---------
  39. .. _ChkptSurfMol__orientation:
  40. orientation: Orientation
  41. ------------------------
  42. .. _ChkptSurfMol__geometry_object:
  43. geometry_object: GeometryObject
  44. -------------------------------
  45. .. _ChkptSurfMol__wall_index:
  46. wall_index: int
  47. ---------------
  48. .. _ChkptSurfMol__grid_tile_index:
  49. grid_tile_index: int
  50. --------------------
  51. .. _ChkptSurfMol__id:
  52. id: int
  53. -------
  54. .. _ChkptSurfMol__species:
  55. species: Species
  56. ----------------
  57. .. _ChkptSurfMol__diffusion_time:
  58. diffusion_time: float
  59. ---------------------
  60. .. _ChkptSurfMol__birthday:
  61. birthday: float
  62. ---------------
  63. .. _ChkptSurfMol__flags:
  64. flags: int
  65. ----------
  66. .. _ChkptSurfMol__unimol_rxn_time:
  67. unimol_rxn_time: float
  68. ----------------------
  69. | - default argument value in constructor: None
  70. ChkptVolMol
  71. ===========
  72. Class representing a checkpointed volume molecule.
  73. Not to be used directly.
  74. Attributes:
  75. ***********
  76. .. _ChkptVolMol__pos:
  77. pos: Vec3
  78. ---------
  79. .. _ChkptVolMol__id:
  80. id: int
  81. -------
  82. .. _ChkptVolMol__species:
  83. species: Species
  84. ----------------
  85. .. _ChkptVolMol__diffusion_time:
  86. diffusion_time: float
  87. ---------------------
  88. .. _ChkptVolMol__birthday:
  89. birthday: float
  90. ---------------
  91. .. _ChkptVolMol__flags:
  92. flags: int
  93. ----------
  94. .. _ChkptVolMol__unimol_rxn_time:
  95. unimol_rxn_time: float
  96. ----------------------
  97. | - default argument value in constructor: None
  98. RngState
  99. ========
  100. Internal checkpointing structure holding state of the random number generator.
  101. Attributes:
  102. ***********
  103. .. _RngState__randcnt:
  104. randcnt: int
  105. ------------
  106. .. _RngState__aa:
  107. aa: int
  108. -------
  109. .. _RngState__bb:
  110. bb: int
  111. -------
  112. .. _RngState__cc:
  113. cc: int
  114. -------
  115. .. _RngState__randslr:
  116. randslr: List[int]
  117. ------------------
  118. | Must contain RNG_SIZE items.
  119. .. _RngState__mm:
  120. mm: List[int]
  121. -------------
  122. | Must contain RNG_SIZE items.
  123. .. _RngState__rngblocks:
  124. rngblocks: int
  125. --------------
  126. | Must contain RNG_SIZE items.