コード例 #1
0
ファイル: tst_shoebox.py プロジェクト: cctbx-xfel/dials
 def generate_shoebox(self, bbox, centre, intensity, mask=False):
     from dials.model.data import Shoebox
     from dials.algorithms.shoebox import MaskCode
     shoebox = Shoebox()
     shoebox.bbox = bbox
     shoebox.allocate()
     for i in range(len(shoebox.mask)):
         shoebox.mask[i] = MaskCode.Valid | MaskCode.Foreground
     shoebox.data = self.gaussian(
         shoebox.size(), 1.0,
         [c - o for c, o in zip(centre[::-1], shoebox.offset())],
         [s / 8.0 for s in shoebox.size()])
     if mask:
         shoebox.mask = self.create_mask(
             shoebox.size(),
             [c - o for c, o in zip(centre[::-1], shoebox.offset())],
             MaskCode.Valid | MaskCode.Foreground)
     tot = 0
     mask_code = MaskCode.Valid | MaskCode.Foreground
     for i in range(len(shoebox.data)):
         if shoebox.mask[i] & mask_code == mask_code:
             tot += shoebox.data[i]
     if tot > 0:
         shoebox.data *= intensity / tot
     return shoebox
コード例 #2
0
ファイル: tst_shoebox.py プロジェクト: cctbx-xfel/dials
    def tst_consistent(self):
        from random import randint
        from dials.model.data import Shoebox
        from dials.array_family import flex

        for i in range(1000):

            x0 = randint(0, 1000)
            y0 = randint(0, 1000)
            z0 = randint(0, 1000)
            x1 = randint(1, 10) + x0
            y1 = randint(1, 10) + y0
            z1 = randint(1, 10) + z0
            try:
                shoebox = Shoebox((x0, x1, y0, y1, z0, z1))
                assert (not shoebox.is_consistent())
                shoebox.allocate()
                assert (shoebox.is_consistent())
                shoebox.data = flex.real(flex.grid(20, 20, 20))
                assert (not shoebox.is_consistent())
                shoebox.deallocate()
                assert (not shoebox.is_consistent())
            except Exception, e:
                print x0, y0, z0, x1, y1, z1
                raise
コード例 #3
0
ファイル: tst_shoebox.py プロジェクト: cctbx-xfel/dials
    def tst_count_mask_values(self):

        from dials.model.data import Shoebox
        from random import randint, sample

        for i in range(10):
            x0 = randint(0, 90)
            y0 = randint(0, 90)
            z0 = randint(0, 90)
            x1 = randint(1, 10) + x0
            y1 = randint(1, 10) + y0
            z1 = randint(1, 10) + z0

            shoebox = Shoebox((x0, x1, y0, y1, z0, z1))
            shoebox.allocate()
            maxnum = len(shoebox.mask)
            num = randint(1, maxnum)
            indices = sample(list(range(maxnum)), num)
            value = (1 << 2)
            for i in indices:
                shoebox.mask[i] = value

            assert (shoebox.count_mask_values(value) == num)

        # Test passed
        print 'OK'
コード例 #4
0
 def gen_shoebox():
     shoebox = Shoebox(0, (0, 4, 0, 3, 0, 1))
     shoebox.allocate()
     for k in range(1):
         for j in range(3):
             for i in range(4):
                 shoebox.data[k, j, i] = i + j + k + 0.1
                 shoebox.mask[k, j, i] = i % 2
                 shoebox.background[k, j, i] = i * j + 0.2
     return shoebox
コード例 #5
0
def test_allocate():
    for i in range(10):
        x0 = random.randint(0, 1000)
        y0 = random.randint(0, 1000)
        z0 = random.randint(0, 1000)
        x1 = random.randint(1, 10) + x0
        y1 = random.randint(1, 10) + y0
        z1 = random.randint(1, 10) + z0

        shoebox = Shoebox((x0, x1, y0, y1, z0, z1))
        shoebox.allocate()
        assert shoebox.data.all() == (z1 - z0, y1 - y0, x1 - x0)
        assert shoebox.mask.all() == (z1 - z0, y1 - y0, x1 - x0)
        shoebox.deallocate()
        assert shoebox.data.all() == (0, 0, 0)
        assert shoebox.mask.all() == (0, 0, 0)
コード例 #6
0
def test_count_mask_values():
    for i in range(10):
        x0 = random.randint(0, 90)
        y0 = random.randint(0, 90)
        z0 = random.randint(0, 90)
        x1 = random.randint(1, 10) + x0
        y1 = random.randint(1, 10) + y0
        z1 = random.randint(1, 10) + z0

        shoebox = Shoebox((x0, x1, y0, y1, z0, z1))
        shoebox.allocate()
        maxnum = len(shoebox.mask)
        num = random.randint(1, maxnum)
        indices = random.sample(list(range(maxnum)), num)
        value = 1 << 2
        for i in indices:
            shoebox.mask[i] = value

        assert shoebox.count_mask_values(value) == num
コード例 #7
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def test_consistent():
    from dials.array_family import flex

    for i in range(1000):
        x0 = random.randint(0, 1000)
        y0 = random.randint(0, 1000)
        z0 = random.randint(0, 1000)
        x1 = random.randint(1, 10) + x0
        y1 = random.randint(1, 10) + y0
        z1 = random.randint(1, 10) + z0
        try:
            shoebox = Shoebox((x0, x1, y0, y1, z0, z1))
            assert not shoebox.is_consistent()
            shoebox.allocate()
            assert shoebox.is_consistent()
            shoebox.data = flex.real(flex.grid(20, 20, 20))
            assert not shoebox.is_consistent()
            shoebox.deallocate()
            assert not shoebox.is_consistent()
        except Exception:
            print(x0, y0, z0, x1, y1, z1)
            raise
コード例 #8
0
ファイル: tst_shoebox.py プロジェクト: cctbx-xfel/dials
    def tst_allocate(self):
        from random import randint
        from dials.model.data import Shoebox

        for i in range(10):

            x0 = randint(0, 1000)
            y0 = randint(0, 1000)
            z0 = randint(0, 1000)
            x1 = randint(1, 10) + x0
            y1 = randint(1, 10) + y0
            z1 = randint(1, 10) + z0

            shoebox = Shoebox((x0, x1, y0, y1, z0, z1))
            shoebox.allocate()
            assert (shoebox.data.all() == (z1 - z0, y1 - y0, x1 - x0))
            assert (shoebox.mask.all() == (z1 - z0, y1 - y0, x1 - x0))
            shoebox.deallocate()
            assert (shoebox.data.all() == (0, 0, 0))
            assert (shoebox.mask.all() == (0, 0, 0))

        # Test passed
        print 'OK'
コード例 #9
0
def test_split_partials_with_shoebox():
    from dials.model.data import Shoebox

    r = flex.reflection_table()
    r["value1"] = flex.double()
    r["value2"] = flex.int()
    r["value3"] = flex.double()
    r["bbox"] = flex.int6()
    r["panel"] = flex.size_t()
    r["shoebox"] = flex.shoebox()
    expected = []
    for i in range(100):
        x0 = random.randint(0, 100)
        x1 = x0 + random.randint(1, 10)
        y0 = random.randint(0, 100)
        y1 = y0 + random.randint(1, 10)
        z0 = random.randint(0, 100)
        z1 = z0 + random.randint(1, 10)
        v1 = random.uniform(0, 100)
        v2 = random.randint(0, 100)
        v3 = random.uniform(0, 100)
        sbox = Shoebox(0, (x0, x1, y0, y1, z0, z1))
        sbox.allocate()
        assert sbox.is_consistent()
        w = x1 - x0
        h = y1 - y0
        for z in range(z0, z1):
            for y in range(y0, y1):
                for x in range(x0, x1):
                    sbox.data[z - z0, y - y0, x - x0] = x + y * w + z * w * h
        r.append({
            "value1": v1,
            "value2": v2,
            "value3": v3,
            "bbox": (x0, x1, y0, y1, z0, z1),
            "panel": 0,
            "shoebox": sbox,
        })
        for z in range(z0, z1):
            sbox = Shoebox(0, (x0, x1, y0, y1, z, z + 1))
            sbox.allocate()
            assert sbox.is_consistent()
            w = x1 - x0
            h = y1 - y0
            for y in range(y0, y1):
                for x in range(x0, x1):
                    sbox.data[0, y - y0, x - x0] = x + y * w + z * w * h
            expected.append({
                "value1": v1,
                "value2": v2,
                "value3": v3,
                "bbox": (x0, x1, y0, y1, z, z + 1),
                "partial_id": i,
                "panel": 0,
                "shoebox": sbox,
            })

    r.split_partials_with_shoebox()
    assert len(r) == len(expected)
    EPS = 1e-7
    for r1, r2 in zip(r.rows(), expected):
        assert abs(r1["value1"] - r2["value1"]) < EPS
        assert r1["value2"] == r2["value2"]
        assert abs(r1["value3"] - r2["value3"]) < EPS
        assert r1["bbox"] == r2["bbox"]
        assert r1["partial_id"] == r2["partial_id"]
        assert r1["panel"] == r2["panel"]
        assert (r1["shoebox"].data.as_double().as_1d().all_approx_equal(
            r2["shoebox"].data.as_double().as_1d()))
コード例 #10
0
def tilt_fit(imgs, is_bg_pix, delta_q, photon_gain, sigma_rdout, zinger_zscore,
             exper, predicted_refls, sb_pad=0, filter_boundary_spots=False,
             minsnr=None, mintilt=None, plot=False, verbose=False, is_BAD_pix=None,
             min_strong=None, min_bg=10, min_dist_to_bad_pix=7, **kwargs):

    if is_BAD_pix is None:
        is_BAD_pix = np.zeros(np.array(is_bg_pix).shape, np.bool)

    predicted_refls['id'] = flex.int(len(predicted_refls), -1)
    predicted_refls['imageset_id'] = flex.int(len(predicted_refls), 0)
    El = ExperimentList()
    El.append(exper)
    predicted_refls.centroid_px_to_mm(El)
    predicted_refls.map_centroids_to_reciprocal_space(El)
    ss_dim, fs_dim = imgs[0].shape
    n_refl = len(predicted_refls)
    integrations = []
    variances = []
    coeffs = []
    new_shoeboxes = []
    tilt_error = []
    boundary = []
    detdist = exper.detector[0].get_distance()
    pixsize = exper.detector[0].get_pixel_size()[0]
    ave_wave = exper.beam.get_wavelength()

    bad_trees = {}
    unique_panels = set(predicted_refls["panel"])
    for p in unique_panels:
        panel_bad_pix = is_BAD_pix[p]
        ybad, xbad = np.where(is_BAD_pix[0])
        if ybad.size:
            bad_pts = zip(ybad, xbad)
            bad_trees[p] = cKDTree(bad_pts)
        else:
            bad_trees[p] = None

    sel = []
    for i_ref in range(len(predicted_refls)):
        ref = predicted_refls[i_ref]
        i_com, j_com, _ = ref['xyzobs.px.value']

        # which detector panel am I on ?
        i_panel = ref['panel']

        if bad_trees[i_panel] is not None:
            if bad_trees[i_panel].query_ball_point((i_com, j_com), r=min_dist_to_bad_pix):
                sel.append(False)
                integrations.append(None)
                variances.append(None)
                coeffs.append(None)
                new_shoeboxes.append(None)
                tilt_error.append(None)
                boundary.append(None)
                continue

        i1_a, i2_a, j1_a, j2_a, _, _ = ref['bbox']  # bbox of prediction

        i1_ = max(i1_a, 0)
        i2_ = min(i2_a, fs_dim-1)
        j1_ = max(j1_a, 0)
        j2_ = min(j2_a, ss_dim-1)

        # get the number of pixels spanning the box in pixels
        Qmag = 2*np.pi*np.linalg.norm(ref['rlp'])  # magnitude momentum transfer of the RLP in physicist convention
        rad1 = (detdist/pixsize) * np.tan(2*np.arcsin((Qmag-delta_q*.5)*ave_wave/4/np.pi))
        rad2 = (detdist/pixsize) * np.tan(2*np.arcsin((Qmag+delta_q*.5)*ave_wave/4/np.pi))
        bbox_extent = (rad2-rad1) / np.sqrt(2)   # rad2 - rad1 is the diagonal across the bbox
        i_com = i_com - 0.5
        j_com = j_com - 0.5
        i_low = int(i_com - bbox_extent/2.)
        i_high = int(i_com + bbox_extent/2.)
        j_low = int(j_com - bbox_extent/2.)
        j_high = int(j_com + bbox_extent/2.)

        i1_orig = max(i_low, 0)
        i2_orig = min(i_high, fs_dim-1)
        j1_orig = max(j_low, 0)
        j2_orig = min(j_high, ss_dim-1)

        i_low = i_low - sb_pad
        i_high = i_high + sb_pad
        j_low = j_low - sb_pad
        j_high = j_high + sb_pad

        i1 = max(i_low, 0)
        i2 = min(i_high, fs_dim-1)
        j1 = max(j_low, 0)
        j2 = min(j_high, ss_dim-1)

        i1_p = i1_orig - i1
        i2_p = i1_p + i2_orig-i1_orig
        j1_p = j1_orig - j1
        j2_p = j1_p + j2_orig-j1_orig

        if i1 == 0 or i2 == fs_dim or j1 == 0 or j2 == ss_dim:
            boundary.append(True)
            if filter_boundary_spots:
                sel.append(False)
                integrations.append(None)
                variances.append(None)
                coeffs.append(None)
                new_shoeboxes.append(None)
                tilt_error.append(None)
                continue
        else:
            boundary.append(False)

        # get the iamge and mask
        shoebox_img = imgs[i_panel][j1:j2, i1:i2] / photon_gain  # NOTE: gain is imortant here!
        dials_mask = np.zeros(shoebox_img.shape).astype(np.int32)

        # initially all pixels are valid
        dials_mask += MaskCode.Valid
        shoebox_mask = is_bg_pix[i_panel][j1:j2, i1:i2]
        badpix_mask = is_BAD_pix[i_panel][j1:j2, i1:i2]


        dials_mask[shoebox_mask] = dials_mask[shoebox_mask] + MaskCode.Background

        new_shoebox = Shoebox((i1_orig, i2_orig, j1_orig, j2_orig, 0, 1))
        new_shoebox.allocate()
        new_shoebox.data = flex.float(np.ascontiguousarray(shoebox_img[None, j1_p:j2_p, i1_p: i2_p]))
        #new_shoebox.data = flex.float(shoebox_img[None,])

        # get coordinates arrays of the image
        Y, X = np.indices(shoebox_img.shape)

        # determine if any more outliers are present in background pixels
        img1d = shoebox_img.ravel()
        mask1d = shoebox_mask.ravel()  # mask specifies which pixels are bg
        # out1d specifies which bg pixels are outliers (zingers)
        out1d = np.zeros(mask1d.shape, bool)
        out1d[mask1d] = is_outlier(img1d[mask1d].ravel(), zinger_zscore)
        out2d = out1d.reshape(shoebox_img.shape)

        # combine bad2d with badpix mask
        out2d = np.logical_or(out2d, badpix_mask)

        # these are points we fit to: both zingers and original mask
        fit_sel = np.logical_and(~out2d, shoebox_mask)  # fit plane to these points, no outliers, no masked

        if np.sum(fit_sel) < min_bg:
            integrations.append(None)
            variances.append(None)
            coeffs.append(None)
            new_shoeboxes.append(None)
            tilt_error.append(None)
            sel.append(False)
            continue

        # update the dials mask...
        dials_mask[fit_sel] = dials_mask[fit_sel] + MaskCode.BackgroundUsed

        # fast scan pixels, slow scan pixels, pixel values (corrected for gain)
        fast, slow, rho_bg = X[fit_sel], Y[fit_sel], shoebox_img[fit_sel]

        # do the fit of the background plane
        A = np.array([fast, slow, np.ones_like(fast)]).T
        # weights matrix:
        W = np.diag(1 / (sigma_rdout ** 2 + rho_bg))
        AWA = np.dot(A.T, np.dot(W, A))
        try:
            AWA_inv = np.linalg.inv(AWA)
        except np.linalg.LinAlgError:
            print ("WARNING: Fit did not work.. investigate reflection")
            print (ref)
            integrations.append(None)
            variances.append(None)
            coeffs.append(None)
            new_shoeboxes.append(None)
            tilt_error.append(None)
            sel.append(False)
            continue


        AtW = np.dot(A.T, W)
        a, b, c = np.dot(np.dot(AWA_inv, AtW), rho_bg)
        coeffs.append((a, b, c))

        # fit of the tilt plane background
        X1d = np.ravel(X)
        Y1d = np.ravel(Y)
        background = (X1d * a + Y1d * b + c).reshape(shoebox_img.shape)
        new_shoebox.background = flex.float(np.ascontiguousarray(background[None, j1_p: j2_p, i1_p:i2_p]))

        # vector of residuals
        r = rho_bg - np.dot(A, (a, b, c))
        Nbg = len(rho_bg)
        Nparam = 3
        r_fact = np.dot(r.T, np.dot(W, r)) / (Nbg - Nparam)
        var_covar = AWA_inv * r_fact
        abc_var = var_covar[0][0], var_covar[1][1], var_covar[2][2]

        # place the strong spot mask in the expanded shoebox
        peak_mask = ref['shoebox'].mask.as_numpy_array()[0] == MaskCode.Valid + MaskCode.Foreground
        peak_mask_valid = peak_mask[j1_-j1_a:- j1_a + j2_, i1_-i1_a:-i1_a + i2_]
        peak_mask_expanded = np.zeros_like(shoebox_mask)

        # overlap region
        i1_o = max(i1_, i1)
        i2_o = min(i2_, i2)
        j1_o = max(j1_, j1)
        j2_o = min(j2_, j2)

        pk_mask_istart = i1_o - i1_
        pk_mask_jstart = j1_o - j1_
        pk_mask_istop = peak_mask_valid.shape[1] - (i2_ - i2_o)
        pk_mask_jstop = peak_mask_valid.shape[0] - (j2_ - j2_o)
        peak_mask_overlap = peak_mask_valid[pk_mask_jstart: pk_mask_jstop, pk_mask_istart: pk_mask_istop]

        pk_mask_exp_i1 = i1_o - i1
        pk_mask_exp_j1 = j1_o - j1
        pk_mask_exp_i2 = peak_mask_expanded.shape[1] - (i2 - i2_o)
        pk_mask_exp_j2 = peak_mask_expanded.shape[0] - (j2 - j2_o)
        peak_mask_expanded[pk_mask_exp_j1: pk_mask_exp_j2, pk_mask_exp_i1: pk_mask_exp_i2] = peak_mask_overlap

        # update the dials mask
        dials_mask[peak_mask_expanded] = dials_mask[peak_mask_expanded] + MaskCode.Foreground

        p = X[peak_mask_expanded]  # fast scan coords
        q = Y[peak_mask_expanded]  # slow scan coords
        rho_peak = shoebox_img[peak_mask_expanded]  # pixel values

        Isum = np.sum(rho_peak - a*p - b*q - c)  # summed spot intensity

        var_rho_peak = sigma_rdout ** 2 + rho_peak  # include readout noise in the variance
        Ns = len(rho_peak)  # number of integrated peak pixels

        # variance propagated from tilt plane constants
        var_a_term = abc_var[0] * ((np.sum(p))**2)
        var_b_term = abc_var[1] * ((np.sum(q))**2)
        var_c_term = abc_var[2] * (Ns**2)
        tilt_error.append(var_a_term + var_b_term + var_c_term)

        # total variance of the spot
        var_Isum = np.sum(var_rho_peak) + var_a_term + var_b_term + var_c_term

        integrations.append(Isum)
        variances.append(var_Isum)
        new_shoebox.mask = flex.int(np.ascontiguousarray(dials_mask[None, j1_p:j2_p, i1_p:i2_p]))
        new_shoeboxes.append(new_shoebox)
        sel.append(True)

        if i_ref % 50 == 0 and verbose:
            print("Integrated refls %d / %d" % (i_ref+1, n_refl))


    #if filter_boundary_spots:
    #    sel = flex.bool([I is not None for I in integrations])
    boundary = np.array(boundary)[sel].astype(bool)
    integrations = np.array([I for I in integrations if I is not None])
    variances = np.array([v for v in variances if v is not None])
    coeffs = np.array([c for c in coeffs if c is not None])
    tilt_error = np.array([te for te in tilt_error if te is not None])

    #boundary = np.zeros(tilt_error.shape).astype(np.bool)

    predicted_refls = predicted_refls.select(flex.bool(sel))

    predicted_refls['resolution'] = flex.double( 1/ np.linalg.norm(predicted_refls['rlp'], axis=1))
    predicted_refls['boundary'] = flex.bool(boundary)
    predicted_refls["intensity.sum.value.Leslie99"] = flex.double(integrations)
    predicted_refls["intensity.sum.variance.Leslie99"] = flex.double(variances)
    predicted_refls['shoebox'] = flex.shoebox([sb for sb in new_shoeboxes if sb is not None])
    idx_assign = assign_indices.AssignIndicesGlobal(tolerance=0.333)
    idx_assign(predicted_refls, El)
    
    return predicted_refls, coeffs, tilt_error, integrations, variances
コード例 #11
0
        all_residual.append(np.mean(residual))
        ref["snr"] = np.nan_to_num(Isum / varIsum)
        ref["tilt_error"] = np.diag(variance_matrix).sum()
        ref["shoebox_roi"] = shoebox_roi

        panels.append(ref["panel"])
        xyzobs.append(list(ref["xyzobs.px.value"]))

    snr = np.array(integrations) / np.sqrt(variances)
    data = {"panel": panels, "shoebox_roi": bboxes, "integration": integrations, "variance": variances,
            "tilt_errors": tilt_error, "xyzobs.px.value": xyzobs, "snr": snr, "dips_below_zero": dips_below_zero}
    df = pandas.DataFrame(data)
    shoeboxes = []
    for i1,i2,j1,j2 in bboxes:
        new_shoebox = Shoebox((i1,i2, j1, j2, 0, 1))
        new_shoebox.allocate()
        shoeboxes.append(new_shoebox)

    embed()

    if not args.plotassembled:
        #from cxid9114.prediction import prediction_utils
        import pylab as plt
        #refls_predict_bypanel = prediction_utils.refls_by_panelname(Rnew)
        pause = args.pause
        plt.figure(1)
        ax = plt.gca()
        refls_bypanel = df.groupby("panel")
        for panel_id in df.panel.unique():
            if args.pause == -1:
                plt.figure(1)
コード例 #12
0
    def tst_split_partials_with_shoebox(self):
        from dials.array_family import flex
        from random import randint, uniform
        from dials.model.data import Shoebox
        r = flex.reflection_table()
        r['value1'] = flex.double()
        r['value2'] = flex.int()
        r['value3'] = flex.double()
        r['bbox'] = flex.int6()
        r['panel'] = flex.size_t()
        r['shoebox'] = flex.shoebox()
        expected = []
        for i in range(100):
            x0 = randint(0, 100)
            x1 = x0 + randint(1, 10)
            y0 = randint(0, 100)
            y1 = y0 + randint(1, 10)
            z0 = randint(0, 100)
            z1 = z0 + randint(1, 10)
            v1 = uniform(0, 100)
            v2 = randint(0, 100)
            v3 = uniform(0, 100)
            sbox = Shoebox(0, (x0, x1, y0, y1, z0, z1))
            sbox.allocate()
            assert (sbox.is_consistent())
            w = x1 - x0
            h = y1 - y0
            for z in range(z0, z1):
                for y in range(y0, y1):
                    for x in range(x0, x1):
                        sbox.data[z - z0, y - y0,
                                  x - x0] = x + y * w + z * w * h
            r.append({
                'value1': v1,
                'value2': v2,
                'value3': v3,
                'bbox': (x0, x1, y0, y1, z0, z1),
                'panel': 0,
                'shoebox': sbox
            })
            for z in range(z0, z1):
                sbox = Shoebox(0, (x0, x1, y0, y1, z, z + 1))
                sbox.allocate()
                assert (sbox.is_consistent())
                w = x1 - x0
                h = y1 - y0
                for y in range(y0, y1):
                    for x in range(x0, x1):
                        sbox.data[0, y - y0, x - x0] = x + y * w + z * w * h
                expected.append({
                    'value1': v1,
                    'value2': v2,
                    'value3': v3,
                    'bbox': (x0, x1, y0, y1, z, z + 1),
                    'partial_id': i,
                    'panel': 0,
                    'shoebox': sbox
                })

        r.split_partials_with_shoebox()
        assert (len(r) == len(expected))
        EPS = 1e-7
        for r1, r2 in zip(r, expected):
            assert (abs(r1['value1'] - r2['value1']) < EPS)
            assert (r1['value2'] == r2['value2'])
            assert (abs(r1['value3'] - r2['value3']) < EPS)
            assert (r1['bbox'] == r2['bbox'])
            assert (r1['partial_id'] == r2['partial_id'])
            assert (r1['panel'] == r2['panel'])
            assert (r1['shoebox'].data.as_double().as_1d().all_approx_equal(
                r2['shoebox'].data.as_double().as_1d()))

        print 'OK'
コード例 #13
0
ファイル: tst_reflection_table.py プロジェクト: dials/dials
  def tst_split_partials_with_shoebox(self):
    from dials.array_family import flex
    from random import randint, uniform
    from dials.model.data import Shoebox
    r = flex.reflection_table()
    r['value1'] = flex.double()
    r['value2'] = flex.int()
    r['value3'] = flex.double()
    r['bbox'] = flex.int6()
    r['panel'] = flex.size_t()
    r['shoebox'] = flex.shoebox()
    expected = []
    for i in range(100):
      x0 = randint(0, 100)
      x1 = x0 + randint(1, 10)
      y0 = randint(0, 100)
      y1 = y0 + randint(1, 10)
      z0 = randint(0, 100)
      z1 = z0 + randint(1, 10)
      v1 = uniform(0, 100)
      v2 = randint(0, 100)
      v3 = uniform(0, 100)
      sbox = Shoebox(0, (x0, x1, y0, y1, z0, z1))
      sbox.allocate()
      assert(sbox.is_consistent())
      w = x1 - x0
      h = y1 - y0
      for z in range(z0, z1):
        for y in range(y0, y1):
          for x in range(x0, x1):
            sbox.data[z-z0,y-y0,x-x0] = x+y*w+z*w*h
      r.append({
        'value1' : v1,
        'value2' : v2,
        'value3' : v3,
        'bbox' : (x0, x1, y0, y1, z0, z1),
        'panel' : 0,
        'shoebox' : sbox
      })
      for z in range(z0, z1):
        sbox = Shoebox(0, (x0, x1, y0, y1, z, z+1))
        sbox.allocate()
        assert(sbox.is_consistent())
        w = x1 - x0
        h = y1 - y0
        for y in range(y0, y1):
          for x in range(x0, x1):
            sbox.data[0,y-y0,x-x0] = x+y*w+z*w*h
        expected.append({
          'value1' : v1,
          'value2' : v2,
          'value3' : v3,
          'bbox' : (x0, x1, y0, y1, z, z+1),
          'partial_id' : i,
          'panel' : 0,
          'shoebox' : sbox
        })

    r.split_partials_with_shoebox()
    assert(len(r) == len(expected))
    EPS = 1e-7
    for r1, r2 in zip(r, expected):
      assert(abs(r1['value1'] - r2['value1']) < EPS)
      assert(r1['value2'] == r2['value2'])
      assert(abs(r1['value3'] - r2['value3']) < EPS)
      assert(r1['bbox'] == r2['bbox'])
      assert(r1['partial_id'] == r2['partial_id'])
      assert(r1['panel'] == r2['panel'])
      assert(r1['shoebox'].data.as_double().as_1d().all_approx_equal(
        r2['shoebox'].data.as_double().as_1d()))

    print 'OK'