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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