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How to use test_absent method in green
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CFML_exti.py
Source:CFML_exti.py 
...200 print(" ")201 def gen_hkl(x):202 g = np.mgrid[-x: x + 1, -x: x + 1, -x: x + 1]203 return np.vstack(list(map(np.ravel, g)))204 def test_absent(hkl, cond):205 # lines of hkl with h+k = 2n + 1 #reflections pouvant obeir a206 # la regle d"extinction207 p_hkl = hkl.T[cond]208 # reflecions obeissant a la regle209 absent_hkl = [True for hh in p_hkl if hkl_absent(hh, SpaceGroup)]210 return len(p_hkl) == len(absent_hkl)211 def end_action(num_exti):212 nonlocal integral_condition213 if iunit:214 print(f"# {num_exti:3d} : {Hkl_Ref_Conditions[num_exti]}")215 integral_condition = True216 # !---- C-face centred ----!217 # ! Hkl_Ref_Conditions(1) = "(h k l) h+k=2n : xy0 centered base"218 num_exti = 1219 hkl = gen_hkl(6) # colomn of hkl220 cond = np.asarray((hkl[0] + hkl[1]) % 2, dtype=bool)221 if test_absent(hkl, cond):222 end_action(num_exti)223 IC.append(ex_r['Ccen'])224 # !---- A-face centred ----!225 # ! Hkl_Ref_Conditions(2) = "(h k l) k+l=2n : 0yz centered base"226 num_exti = 2227 hkl = gen_hkl(6) # colomn of hkl228 cond = np.asarray((hkl[1] + hkl[2]) % 2, dtype=bool)229 if test_absent(hkl, cond):230 end_action(num_exti)231 IC.append(ex_r['Acen'])232 # !---- B-face centred ----!233 # ! Hkl_Ref_Conditions(3) = "(h k l) h+l=2n : x0z centered base"234 num_exti = 3235 hkl = gen_hkl(6) # colomn of hkl236 cond = np.asarray((hkl[0] + hkl[2]) % 2, dtype=bool)237 if test_absent(hkl, cond):238 end_action(num_exti)239 IC.append(ex_r['Bcen'])240 # !---- Body centred (I) ----!241 # ! Hkl_Ref_Conditions(4) = "(h k l) h+k+l=2n : body centred"242 num_exti = 4243 hkl = gen_hkl(3) # colomn of hkl244 cond = np.asarray(hkl.sum(0) % 2, dtype=bool)245 if test_absent(hkl, cond):246 end_action(num_exti)247 IC.append(ex_r['Icen'])248 # !---- all-face centred (F) ----!249 # ! Hkl_Ref_Conditions(5) = "(h k l) h,k,l same parity: all-face cent"250 num_exti = 5251 hkl = gen_hkl(6) # colomn of hkl252 c1 = np.sum(hkl % 2, axis=0)253 cond = np.asarray(np.logical_or((c1 == 1), (c1 == 2)))254 if test_absent(hkl, cond):255 end_action(num_exti)256 # !---- R network ----!257 # ! Hkl_Ref_Conditions(6) = "(h k l) -h+k+l=3n : Rhombohedrally centred (R)"258 num_exti = 6259 hkl = gen_hkl(6) # colomn of hkl260 cond = np.asarray((-hkl[0] + hkl[1] + hkl[2]) % 3, dtype=bool)261 if test_absent(hkl, cond):262 end_action(num_exti)263 IC.append(ex_r['Rceno'])264 if not integral_condition:265 if iunit:266 print(" =====>>> no general reflection condition")267 return IC268def Screw_Axis_Conditions(SpaceGroup, Iunit):269 """270 # !---- Arguments ----!271 type (Space_Group_Type), intent(in) :: spacegroup272 integer, optional, intent(in) :: iunit273 # !---- Local variables ----!274 integer :: h, k,l275 integer :: n, n_ext276 integer, dimension(3) :: hh277 integer :: num_exti278 logical :: serial_condition279 """280 SAC = []281 serial_condition = False282 def gen_hkl(x):283 g = np.mgrid[-x: x + 1, -x: x + 1, -x: x + 1]284 return np.vstack(map(np.ravel, g))285 def test_absent(hkl, cond):286 # lines of hkl with h+k = 2n + 1 #reflections pouvant obeir a287 # la regle d"extinction288 p_hkl = hkl.T[cond]289 # reflecions obeissant a la regle290 absent_hkl = [hh for hh in p_hkl if hkl_absent(hh, SpaceGroup)]291 return len(p_hkl) == len(absent_hkl)292 def end_action(num_exti):293 nonlocal serial_condition294 if Iunit:295 print(f"# {num_exti:3d} : {Hkl_Ref_Conditions[num_exti]}")296 serial_condition = True297 SAC.append(ex_r[num_exti])298 def screw_21_41(xyz, num_exti):299 """300 xyz = 0 , 1, 2301 """302 hkl = np.zeros((3, 13))303 hkl[xyz] = np.arange(-6, 7)304 cond = np.asarray(hkl[xyz] % 2, dtype=bool)305 if test_absent(hkl, cond):306 end_action(num_exti)307 def screw_42_43(xyz, num_exti):308 """309 xyz = 0 , 1, 2310 """311 hkl = np.zeros((3, 13))312 hkl[xyz] = np.arange(-6, 7)313 cond = np.asarray(hkl[xyz] % 4, dtype=bool)314 if test_absent(hkl, cond):315 end_action(num_exti)316 end_action(num_exti + 1)317 if (Iunit):318 print(" ")319 print(" >>> Serial reflections conditions for screw axes:")320 print("---------------------------------------------------")321 print(" ")322 # !SCREW AXES: 33 extinctions323 # check if "Monoclinic", "Orthorhombic" "Tetragonal" "Cubic"324 if (SpaceGroup.no in range(1, 143)) or (SpaceGroup.no > 194):325 # ! Hkl_Ref_Conditions(40) = "(h 0 0) h=2n : screw axis // [100] with a/2 translation (21) # noqa E501326 num_exti = 40327 screw_21_41(0, num_exti)328 # ! Hkl_Ref_Conditions(44) = "(0 k 0) k=2n : screw axis // [010] with b/2 translation (21) # noqa E501329 num_exti = 44330 screw_21_41(1, num_exti)331 # ! Hkl_Ref_Conditions(48) = "(0 0 l) l=2n : screw axis // [00l] with c/2 translation (21) # noqa E501332 num_exti = 48333 screw_21_41(2, num_exti)334 if (SpaceGroup.no > 194): # "Cubic" then335 # ! 41336 # ! Hkl_Ref_Conditions(41) = "(h 0 0) h=2n : screw axis // [100] with 2a/4 translation (42)" # noqa E501337 num_exti = 41338 screw_21_41(0, num_exti)339 # Hkl_Ref_Conditions(42) = "(h 0 0) h=4n : screw axis // [100] with a/4 translation (41)" # noqa E501340 # Hkl_Ref_Conditions(43) = "(h 0 0) h=4n : screw axis //341 # [100] with 3a/4 translation (43)" # ! cubic342 num_exti = 42343 screw_42_43(0, num_exti)344 # ! Hkl_Ref_Conditions(45) = "(0 k 0) k=2n : screw axis // [010] with 2b/4 translation (42)" # ! cubic345 num_exti = 45346 screw_21_41(1, num_exti)347 # ! Hkl_Ref_Conditions(46) = "(0 k 0) k=4n : screw axis // [010] with b/4 translation (41)" # ! cubic348 # ! Hkl_Ref_Conditions(47) = "(0 k 0) k=4n : screw axis // [010] with 3b/4 translation (43)" # ! cubic349 num_exti = 46350 screw_42_43(1, num_exti)351 # ! Hkl_Ref_Conditions(49) = "(0 0 l) l=2n : screw axis // [00l] with c/2 translation (21)" # ! monoclinic, ortho. and cubic352 num_exti = 49353 screw_21_41(2, num_exti)354 # ! Hkl_Ref_Conditions(50) = "(0 0 l) l=4n : screw axis // [00l] with c/4 translation (41)" # ! tetragonal and cubic355 # ! Hkl_Ref_Conditions(51) = "(0 0 l) l=4n : screw axis // [00l] with 3c/4 translation (43)" # ! tetragonal and cubic356 num_exti = 50357 screw_42_43(2, num_exti)358 if (SpaceGroup.no in range(143, 195)): # hexagonal cell --> Rombo + Hexagonal groups359 # ! Hkl_Ref_Conditions(52) = "(0 0 0 l) l=2n : screw axis // [00l] axis with 3c/6 translation (63)"360 num_exti = 52361 screw_21_41(2, num_exti)362 # ! Hkl_Ref_Conditions(53) = "(0 0 0 l) l=3n : screw axis // [00l] axis with c/3 translation (31)"363 # ! Hkl_Ref_Conditions(54) = "(0 0 0 l) l=3n : screw axis // [00l] axis with 2c/3 translation (32)"364 # ! Hkl_Ref_Conditions(55) = "(0 0 0 l) l=3n : screw axis // [00l] axis with 2c/6 translation (62)"365 # ! Hkl_Ref_Conditions(56) = "(0 0 0 l) l=3n : screw axis // [00l] axis with 4c/6 translation (64)"366 num_exti = 53367 hkl = np.zeros((3, 13))368 hkl[2] = np.arange(-6, 7)369 cond = np.asarray(hkl[2] % 3, dtype=bool)370 if test_absent(hkl, cond):371 end_action(num_exti)372 end_action(num_exti + 1)373 if (SpaceGroup.no in range(168, 195)):374 end_action(num_exti + 2)375 end_action(num_exti + 3)376 if (SpaceGroup.no in range(168, 195)): # Hexagonal groups377 # ! Hkl_Ref_Conditions(57)="(0 0 0 l) l=6n : screw axis // [00l] axis with c/6 translation (61)"378 # ! Hkl_Ref_Conditions(58)="(0 0 0 l) l=6n : screw axis // [00l] axis with 5c/6 translation (65)"379 num_exti = 57380 hkl = np.zeros((3, 13))381 hkl[2] = np.arange(-6, 7)382 cond = np.asarray(hkl[2] % 6, dtype=bool)383 if test_absent(hkl, cond):384 end_action(num_exti)385 end_action(num_exti + 1)386 if not serial_condition:387 if Iunit:388 print(" =====>>> no serial reflection condition")389 return SAC390def Glide_Planes_Conditions(SpaceGroup, Iunit):391 """392 # !---- Arguments ----!393 type (Space_Group_Type), intent(in) :: spacegroup394 integer, optional, intent(in) :: iunit395 # !---- Local variables ----!396 integer :: h, k,l, m397 integer :: n, n_ext398 integer, dimension(3) :: hh399 integer :: num_exti400 logical :: zonal_condition401 """402 GPC = []403 zonal_condition = False404 def gen_hkl(x):405 g = np.mgrid[-x: x + 1, -x: x + 1, -x: x + 1]406 return np.vstack(map(np.ravel, g))407 def gen_hk0(zero, x):408 g = np.mgrid[-x: x + 1, -x: x + 1]409 hkl = np.vstack(list(map(np.ravel, g)))410 hkl = np.insert(hkl, zero, np.zeros_like(hkl[0]), 0)411 return hkl412 def gen_hhl(l_diff, x):413 g1, g2 = np.mgrid[-x: x + 1, -x: x + 1]414 hkl = np.tile(g1.flat, (3, 1))415 hkl[l_diff] = g2.flat416 return hkl417 def test_absent(hkl, cond):418 p_hkl = hkl.T[cond] # la regle d"extinction419 absent_hkl = [hh for hh in p_hkl if hkl_absent(420 hh, SpaceGroup)] # ref. good with rule421 return len(p_hkl) == len(absent_hkl)422 def end_action(num_exti):423 nonlocal zonal_condition424 if Iunit:425 print(f"# {num_exti:3d} : {Hkl_Ref_Conditions[num_exti]}")426 zonal_condition = True427 GPC.append(ex_r[num_exti])428 def glide_abc(tras, mir, num_exti):429 """430 xyz = 0 , 1, 2431 """432 g = np.mgrid[-6:7, -6:7]433 hkl = np.vstack(list(map(np.ravel, g)))434 hkl = np.insert(hkl, mir, np.zeros_like(hkl[0]), 0)435 cond = np.asarray(hkl[tras] % 2, dtype=bool)436 if test_absent(hkl, cond):437 end_action(num_exti)438 if Iunit:439 print(" ")440 print(" >>> Zonal reflections conditions for glide planes:")441 print("---------------------------------------------------")442 print(" ")443 # !GLIDE PLANES and screw axes: table 2.13.2444 # !-------------445 # !446 # ! 0 k l: k=2n b/2 monoclinic, orthorhombic, tetragonal and cubic447 # ! 0 k l: l=2n c/2 monoclinic, orthorhombic, tetragonal and cubic448 # ! 0 k l: k+l=2n b/2 + c/2 monoclinic, orthorhombic, tetragonal and cubic449 # ! 0 k l: k+l=4n b/4 +- c/4 orthorhombic and cubic450 # !451 # !452 # ! h 0 l: h=2n a/2 monoclinic, orthorhombic, tetragonal and cubic453 # ! h 0 l: l=2n c/2 monoclinic, orthorhombic, tetragonal and cubic454 # ! h 0 l: l+h=2n c/2 + a/2 monoclinic, orthorhombic, tetragonal and cubic455 # ! h 0 l: l+h=4n c/4 +- a/4 orthorhombic and cubic456 # !457 # ! h k 0: h=2n a/2 monoclinic, orthorhombic, tetragonal and cubic458 # ! h k 0: k=2n b/2 monoclinic, orthorhombic, tetragonal and cubic459 # ! h k 0: h+k=2n a/2 + b/2 monoclinic, orthorhombic, tetragonal and cubic460 # ! h k 0: h+k=4n a/4 +- b/4 monoclinic, orthorhombic, tetragonal and cubic461 # check if "Monoclinic", "Orthorhombic" "Tetragonal" "Cubic"462 if (SpaceGroup.no in range(1, 143)) or (SpaceGroup.no > 194):463 # !---- glide plane b/2:464 # ! Hkl_Ref_Conditions(7) = "(0 k l) k=2n : 0yz glide plane with b/2 translation"465 num_exti = 7466 glide_abc(tras=1, mir=0, num_exti=num_exti)467 # !---- glide plane c/2:468 # ! Hkl_Ref_Conditions(8) = "(0 k l) l=2n : 0yz glide plane with c/2 translation"469 num_exti = 8470 glide_abc(tras=2, mir=0, num_exti=num_exti)471 # !---- glide plane b/2 + c/2:472 # !Hkl_Ref_Conditions(9) = "(0 k l) k+l=2n : 0yz glide plane with b/2 + c/2 translation"473 num_exti = 9474 hkl = gen_hk0(0, 6) # colomn of hkl475 cond = np.asarray((hkl[1] + hkl[2]) % 2, dtype=bool)476 if test_absent(hkl, cond):477 end_action(num_exti)478 # !---- glide plane a/2:479 # ! Hkl_Ref_Conditions(11) = "(h 0 l) h=2n : x0z glide plane with a/2 translation"480 num_exti = 11481 glide_abc(tras=0, mir=1, num_exti=num_exti)482 # !---- glide plane c/2:483 # ! Hkl_Ref_Conditions(12) = "(h 0 l) l=2n : x0z glide plane with c/2 translation"484 num_exti = 12485 glide_abc(tras=2, mir=1, num_exti=num_exti)486 # !---- glide plane c/2 + a/2:487 # ! Hkl_Ref_Conditions(13) = "(h 0 l) l+h=2n : x0z glide plane with a/2 + c/2 translations"488 num_exti = 13489 hkl = gen_hk0(1, 6) # colomn of hkl490 cond = np.asarray((hkl[0] + hkl[2]) % 2, dtype=bool)491 if test_absent(hkl, cond):492 end_action(num_exti)493 # !---- glide plane a/2:494 # ! Hkl_Ref_Conditions(15) = "(h k 0) h=2n : xy0 glide plane with a/2 translation"495 num_exti = 15496 glide_abc(tras=0, mir=2, num_exti=num_exti)497 # !---- glide plane b/2:498 # !Hkl_Ref_Conditions(16) = "(h k 0) k=2n : xy0 glide plane with b/2 translation"499 num_exti = 16500 glide_abc(tras=1, mir=2, num_exti=num_exti)501 # !---- glide plane a/2 + b/2:502 # ! Hkl_Ref_Conditions(17) = "(h k 0) h+k=2n : xy0 glide plane with a/2 + b/2 translations"503 num_exti = 17504 hkl = gen_hk0(2, 6) # colomn of hkl505 cond = np.asarray((hkl[0] + hkl[1]) % 2, dtype=bool)506 if test_absent(hkl, cond):507 end_action(num_exti)508 # check if "Orthorhombic" .or. "Cubic"509 if (SpaceGroup.no in range(16, 75)) or (SpaceGroup.no > 194):510 # !---- glide plane b/4 + c/4:511 # ! Hkl_Ref_Conditions(10) = "(0 k l) k+l=4n : 0yz glide plane with b/4 +- c/4 translation"512 num_exti = 10513 hkl = gen_hk0(0, 6) # colomn of hkl514 cond = np.asarray((hkl[1] + hkl[2]) % 4, dtype=bool)515 if test_absent(hkl, cond):516 end_action(num_exti)517 # !---- glide plane c/4 + a/4:518 # ! Hkl_Ref_Conditions(14) = "(h 0 l) l+h=4n : x0z glide plane with a/4 +- c/4 translations"519 num_exti = 14520 hkl = gen_hk0(1, 6) # colomn of hkl521 cond = np.asarray((hkl[0] + hkl[2]) % 4, dtype=bool)522 if test_absent(hkl, cond):523 end_action(num_exti)524 # !---- glide plane a/4 + b/4:525 # ! Hkl_Ref_Conditions(18) = "(h k 0) h+k=4n : xy0 glide plane with a/4 +- b/4 translations"526 num_exti = 18527 hkl = gen_hk0(2, 6) # colomn of hkl528 cond = np.asarray((hkl[0] + hkl[1]) % 4, dtype=bool)529 if test_absent(hkl, cond):530 end_action(num_exti)531 # end if ! fin de la condition "if ortho, cubic532 if (SpaceGroup.no in range(143, 195)): # hexagonal cell --> Rombo + Hexagonal groups533 # !---- glide plane with c/2 translation: hexagonal534 # ! Hkl_Ref_Conditions(19) = "( h -h 0 l) l=2n : (11-20) glide plane with c/2 translation (c)"535 num_exti = 19536 hkl = gen_hhl(2, 6)537 hkl[1] *= -1538 cond = np.asarray(hkl[2] % 2, dtype=bool)539 if test_absent(hkl, cond):540 end_action(num_exti)541 # !---- glide plane with c/2 translation: hexagonal542 # ! Hkl_Ref_Conditions(20) = "( 0 k -k l) l=2n : (-2110) glide plane with c/2 translation (c)"543 num_exti = 20544 hkl = gen_hk0(0, 6)545 cond = np.asarray(hkl[2] % 2, dtype=bool)546 if test_absent(hkl, cond):547 end_action(num_exti)548 # !---- glide plane with c/2 translation: hexagonal549 # !Hkl_Ref_Conditions(21) = "( -h 0 h l) l=2n : (1-210) glide plane with c/2 translation (c)"550 num_exti = 21551 hkl = gen_hk0(1, 6)552 cond = np.asarray(hkl[2] % 2, dtype=bool)553 if test_absent(hkl, cond):554 end_action(num_exti)555 # !---- glide plane with c/2 translation: hexagonal556 # ! Hkl_Ref_Conditions(22) = "( h h -2h l) l=2n : (1-100) glide plane with c/2 translation (c)"557 num_exti = 22558 hkl = gen_hhl(2, 6)559 cond = np.asarray(hkl[2] % 2, dtype=bool)560 if test_absent(hkl, cond):561 end_action(num_exti)562 # !---- glide plane with c/2 translation: hexagonal563 # ! Hkl_Ref_Conditions(23) = "(-2h h h l) l=2n : (01-10) glide plane with c/2 translation (c)"564 num_exti = 23565 hkl = gen_hhl(2, 6)566 hkl[0] *= -2567 cond = np.asarray(hkl[2] % 2, dtype=bool)568 if test_absent(hkl, cond):569 end_action(num_exti)570 # !---- glide plane with c/2 translation: hexagonal571 # ! Hkl_Ref_Conditions(24) = "( h -2h h l) l=2n : (-1010) glide plane with c/2 translation (c)"572 num_exti = 24573 hkl = gen_hhl(2, 6)574 hkl[1] *= -2575 cond = np.asarray(hkl[2] % 2, dtype=bool)576 if test_absent(hkl, cond):577 end_action(num_exti)578 # !25: glide plane with c/2 translation: rhomboedral579 # ! Hkl_Ref_Conditions(25) = "( h h l) l=2n : (1-10) glide plane with c/2 translation (c,n)"580 num_exti = 25581 hkl = gen_hhl(2, 6)582 cond = np.asarray(hkl[2] % 2, dtype=bool)583 if test_absent(hkl, cond):584 end_action(num_exti)585 # !---- glide plane with c/2 translation: rhomboedral586 # ! Hkl_Ref_Conditions(26) = "( h k k) h=2n : (01-1) glide plane with a/2 translation (a,n)"587 num_exti = 26588 hkl = gen_hhl(0, 6)589 cond = np.asarray(hkl[0] % 2, dtype=bool)590 if test_absent(hkl, cond):591 end_action(num_exti)592 # !27: glide plane with c/2 translation: rhomboedral593 # ! Hkl_Ref_Conditions(27) = "( h k h) k=2n : (-101) glide plane with b/2 translation (b,n)"594 num_exti = 27595 hkl = gen_hhl(1, 6)596 cond = np.asarray(hkl[1] % 2, dtype=bool)597 if test_absent(hkl, cond):598 end_action(num_exti)599 # check if "Tetragonal" .or. "Cubic"600 if (SpaceGroup.no in range(75, 143)) or (SpaceGroup.no > 195):601 # !---- glide plane with c/2 translation: tetragonal + cubic602 # ! Hkl_Ref_Conditions(28) = "( h h l) l=2n : (1-10) glide plane with c/2 translation (c,n)"603 num_exti = 28604 hkl = gen_hhl(2, 6)605 cond = np.asarray(hkl[2] % 2, dtype=bool)606 if test_absent(hkl, cond):607 end_action(num_exti)608 # !---- glide plane with a/4 +- b/4 +- c/4 translation: tetragonal + cubic609 # ! Hkl_Ref_Conditions(29) = "( h h l) 2h+l=4n : (1-10) glide plane with a/4 +- b/4 +- c/4 translation (d)"610 num_exti = 29611 hkl = gen_hhl(2, 6)612 cond = np.asarray((2 * hkl[0] + hkl[2]) % 4, dtype=bool)613 if test_absent(hkl, cond):614 end_action(num_exti)615 # !30: glide plane with c/2 translation: tetragonal + cubic616 # ! Hkl_Ref_Conditions(30) = "( h -h l) l=2n : (110) glide plane with c/2 translation (c,n)"617 num_exti = 30618 hkl = gen_hhl(2, 6)619 hkl[1] *= -1620 cond = np.asarray(hkl[2] % 4, dtype=bool)621 if test_absent(hkl, cond):622 end_action(num_exti)623 # ! 31: glide plane with a/4 +- b/4 +- c/4 translation: tetragonal + cubic624 # ! Hkl_Ref_Conditions(31) = "( h -h l) 2h+l=4n : (110) glide plane with a/4 +- b/4 +- c/4 translation (d)"625 num_exti = 31626 hkl = gen_hhl(2, 6)627 hkl[1] *= -1628 cond = np.asarray((2 * hkl[0] + hkl[2]) % 4, dtype=bool)629 if test_absent(hkl, cond):630 end_action(num_exti)631 # check if "Cubic"632 if (SpaceGroup.no > 195):633 # !---- glide plane with a/2 translation: tetragonal + cubic634 # ! Hkl_Ref_Conditions(32) = "( h k k) h=2n : (01-1) glide plane with a/2 translation (a,n)"635 num_exti = 32636 hkl = gen_hhl(0, 6)637 cond = np.asarray(hkl[0] % 2, dtype=bool)638 if test_absent(hkl, cond):639 end_action(num_exti)640 # !---- glide plane with +-a/4 +- b/4 +- c/4 translation: tetragonal + cubic641 # ! Hkl_Ref_Conditions(33) = "( h k k) 2k+h=4n : (01-1) glide plane with +-a/4 + b/4 +- c/4 translation (d)"642 num_exti = 33643 hkl = gen_hhl(0, 6)644 cond = np.asarray((2 * hkl[1] + hkl[0]) % 4, dtype=bool)645 if test_absent(hkl, cond):646 end_action(num_exti)647 # !34: glide plane with a/2 translation: tetragonal + cubic648 # ! Hkl_Ref_Conditions(34) = "( h k -k) h=2n : (011) glide plane with a/2 translation (a,n)"649 num_exti = 34650 hkl = gen_hhl(0, 6)651 hkl[2] *= -1652 cond = np.asarray(hkl[0] % 2, dtype=bool)653 if test_absent(hkl, cond):654 end_action(num_exti)655 # ! 35: glide plane with a/4 +- b/4 +- c/4 translation: tetragonal + cubic656 # ! Hkl_Ref_Conditions(351) = "( h k -k) 2k+h=4n : (011) glide plane with +-a/4 + b/4 +- c/4 translation (d)"657 num_exti = 35658 hkl = gen_hhl(0, 6)659 hkl[2] *= -1660 cond = np.asarray((2 * hkl[1] + hkl[0]) % 4, dtype=bool)661 if test_absent(hkl, cond):662 end_action(num_exti)663 # !36: glide plane with b/2 translation: tetragonal + cubic664 # ! Hkl_Ref_Conditions(36) = "( h k h) k=2n : (-101) glide plane with b/2 translation (b,n)"665 num_exti = 36666 hkl = gen_hhl(1, 6)667 cond = np.asarray(hkl[1] % 2, dtype=bool)668 if test_absent(hkl, cond):669 end_action(num_exti)670 # !37: glide plane with +-a/4 +- b/4 +- c/4 translation: tetragonal + cubic671 # ! Hkl_Ref_Conditions(33) = "( h k h) 2h+k=4n : (-101) glide plane with +-a/4 + b/4 +- c/4 translation (d)"672 num_exti = 37673 hkl = gen_hhl(1, 6)674 cond = np.asarray((2 * hkl[0] + hkl[1]) % 4, dtype=bool)675 if test_absent(hkl, cond):676 end_action(num_exti)677 # !38: glide plane with b/2 translation: tetragonal + cubic678 # ! Hkl_Ref_Conditions(38) = "( -h k h) k=2n : (101) glide plane with b/2 translation (b,n)"679 num_exti = 38680 hkl = gen_hhl(1, 6)681 hkl[0] *= -1682 cond = np.asarray(hkl[1] % 2, dtype=bool)683 # ! 39: glide plane with a/4 +- b/4 +- c/4 translation: tetragonal + cubic684 # ! Hkl_Ref_Conditions(39) = "( -h k h) 2h+k=4n : (101) glide plane with +-a/4 + b/4 +- c/4 translation (d)"685 num_exti = 39686 hkl = gen_hhl(1, 6)687 hkl[0] *= -1688 cond = np.asarray((2 * hkl[0] + hkl[1]) % 4, dtype=bool)689 if test_absent(hkl, cond):690 end_action(num_exti)691 # end if ! fin de la condition "if cubic692 if not zonal_condition:693 if Iunit:694 print(" =====>>> no zonal reflection condition")...
test_features.py
Source:test_features.py
...112class TestDefaultValues(unittest.TestCase, AbstractFeatureTest):113 114 check = staticmethod(features.check_funcdefaultvalues)115 116 def test_absent(self):117 src = """118 def f(x):119 pass120 """121 self.assertFeatureAbsent(src)122 123 def test_present(self):124 src = """125 def f(x=1):126 pass127 """128 self.assertHasFeature(src)129class TestNonExplicitMembers(unittest.TestCase, AbstractFeatureTest):130 131 check = staticmethod(features.check_nonexplicitmembers)132 133 def test_absent(self):134 src = """135 class C(object):136 __pydron_members__ = locals()137 """138 self.assertFeatureAbsent(src)139 140 def test_present_no_member(self):141 src = """142 class C(object):143 pass144 """145 self.assertHasFeature(src)146 def test_present_member(self):147 src = """148 class C(object):149 x = 1150 """151 self.assertHasFeature(src)152class TestLocals(unittest.TestCase, AbstractFeatureTest):153 154 check = staticmethod(features.check_locals)155 156 def test_absent(self):157 src = """158 x = f(1)159 """160 self.assertFeatureAbsent(src)161 162 def test_present(self):163 src = """164 x = locals()165 """166 self.assertHasFeature(src)167class TestDecorator(unittest.TestCase, AbstractFeatureTest):168 169 check = staticmethod(features.check_decorator)170 171 def test_class_absent(self):172 src = """173 class C(object):174 pass175 """176 self.assertFeatureAbsent(src)177 178 def test_class_present(self):179 src = """180 @f181 class C(object):182 pass183 """184 self.assertHasFeature(src)185 186 def test_function_absent(self):187 src = """188 def f():189 pass190 """191 self.assertFeatureAbsent(src)192 193 def test_function_present(self):194 src = """195 @f196 def f():197 pass198 """199 self.assertHasFeature(src)200 201class TestComplexExpr(unittest.TestCase, AbstractFeatureTest):202 203 check = staticmethod(features.check_complexexpr)204 205 def test_absent_num(self):206 src = """207 x = f(1)208 """209 self.assertFeatureAbsent(src)210 211 def test_absent_str(self):212 src = """213 x = f("str")214 """215 self.assertFeatureAbsent(src)216 217 def test_absent_Name(self):218 src = """219 x = f(y)220 """221 self.assertFeatureAbsent(src)222 223 def test_present(self):224 src = """225 x = 1 + 2 * 3226 """227 self.assertHasFeature(src)228 229 def test_default(self):230 src = """231 def f(x=1+2):232 pass233 """234 self.assertHasFeature(src)235class TestMultitarget(unittest.TestCase, AbstractFeatureTest):236 237 check = staticmethod(features.check_multitarget)238 239 def test_absent(self):240 src = """241 x = 1242 """243 self.assertFeatureAbsent(src)244 245 def test_present(self):246 src = """247 x = y = 1248 """249 self.assertHasFeature(src)250 251class TestClosureFunc(unittest.TestCase, AbstractFeatureTest):252 253 check = staticmethod(features.check_closure_func)254 255 def test_absent(self):256 src = """257 def outer():258 x = 1259 def inner():260 x = 1261 """262 self.assertFeatureAbsent(src)263 264 def test_present(self):265 src = """266 def outer():267 x = 1268 def inner():269 print x270 """271 self.assertHasFeature(src)272 273 274 def test_shared_in_class(self):275 src = """276 class outer():277 x = 1278 def inner():279 print x280 """281 self.assertFeatureAbsent(src)282 283 def test_shared_outside_class(self):284 src = """285 def outer():286 x = 1287 class c():288 def inner():289 print x290 """291 self.assertHasFeature(src)292 293 def test_free_in_class(self):294 src = """295 def outer():296 x = 1297 class inner():298 print x299 """300 self.assertFeatureAbsent(src)301 302 303 304class TestClosureClass(unittest.TestCase, AbstractFeatureTest):305 306 check = staticmethod(features.check_closure_class)307 308 def test_absent(self):309 src = """310 def outer():311 x = 1312 def inner():313 x = 1314 """315 self.assertFeatureAbsent(src)316 317 def test_free_in_class(self):318 src = """319 def outer():320 x = 1321 class inner():322 print x...
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