diff --git a/src/f4enix/input/MCNPinput.py b/src/f4enix/input/MCNPinput.py index e922985..1a0fb0f 100644 --- a/src/f4enix/input/MCNPinput.py +++ b/src/f4enix/input/MCNPinput.py @@ -51,6 +51,7 @@ from f4enix.input.materials import MatCardsList, Material PAT_MT = re.compile(r"m[tx]\d+", re.IGNORECASE) +PAT_COLUMN_FORMAT = re.compile(r"\s*\#") PAT_BLANK_LINE = re.compile(r"\n[\s\t]*\n") ADD_LINE_FORMAT = " {}\n" @@ -601,6 +602,15 @@ def _to_dict(cards: list[parser.Card]) -> dict[str, parser.Card]: comment = card.lines flag_add = True continue + + # check if it is a column format + if PAT_COLUMN_FORMAT.match(card.lines[0]) is not None: + # then this needs to be added to the previous card + new_cards[previous_key].lines.extend(card.lines) + new_cards[previous_key].get_input() + new_cards[previous_key].get_values() + continue + # and then if it is a proper card else: key = card.card().split()[0].upper() @@ -615,6 +625,7 @@ def _to_dict(cards: list[parser.Card]) -> dict[str, parser.Card]: flag_add = False new_cards[key] = card + previous_key = key return new_cards diff --git a/src/f4enix/input/ace.py b/src/f4enix/input/ace.py index 1061a33..d9dd4cd 100644 --- a/src/f4enix/input/ace.py +++ b/src/f4enix/input/ace.py @@ -314,7 +314,7 @@ def _get_xs_zaid_list( e_0 = energy_grid[i - 1] x = np.logspace(np.log10(e_0), np.log10(e), integral_points) y = table(x) - values.append(np.trapz(y, x) / (e - e_0)) + values.append(np.trapezoid(y, x) / (e - e_0)) values = np.array(values) else: diff --git a/tests/MCNPinput_test.py b/tests/MCNPinput_test.py index de63e08..96665ac 100644 --- a/tests/MCNPinput_test.py +++ b/tests/MCNPinput_test.py @@ -917,3 +917,21 @@ def test_add_SDDR_dose_function(self): "DF14 0.0485 0.1254 0.2050 0.2999 0.3381 0.3572" in inp.other_data["DF14"].lines[0] ) + + def test_column_format(self, tmp_path): + with as_file(resources_inp.joinpath("column_format.i")) as FILE1: + inp = Input.from_input(FILE1) + + outfile = tmp_path / "column_format_output.i" + inp.write(outfile) + + inp2 = Input.from_input(outfile) + # check for the # line + with open(outfile) as f: + lines = f.readlines() + found = False + for line in lines: + if " # wwn1:p" in line: + found = True + break + assert found diff --git a/tests/resources/input/column_format.i b/tests/resources/input/column_format.i new file mode 100644 index 0000000..aab19b3 --- /dev/null +++ b/tests/resources/input/column_format.i @@ -0,0 +1,2144 @@ +TITLE +c aria parte dietro +19 4 4.614e-5 12 -6 -19 11 -46 47 +c aria parte avanti dove sono i tubi di plastica +20 4 4.614e-5 6 -303 -19 (42:-43:30:-33) -48 49 57 +c aria destra e sinistra dei tubi rastremati parte superiore +21 4 4.614e-5 -42 16 -30 33 (35:37) 23 25 +c c e l l e p e r t u b o s u p e r i o r e +c boccagomma in acciaio +22 1 -7.954 42 -44 -15 14 +c acqua nel boccagomma +23 2 -1.0 42 -44 -14 +c plastica sopra il boccagomma +24 2 -1.0 42 -44 -57 15 +c tubo piu acqua in plastica +25 2 -1.0 -57 44 -46 +c boccagomma in acciaio 2 +26 1 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-18.075 119 -120 203 -204 86 -87 +313 5 -18.075 119 -120 204 -205 86 -87 +314 5 -18.075 119 -120 205 -206 86 -87 +315 5 -18.075 119 -120 206 -207 86 -87 +316 5 -18.075 119 -120 207 -208 86 -87 +317 5 -18.075 119 -120 208 -209 86 -87 +318 5 -18.075 119 -120 209 86 -87 92 -93 94 -95 +c parte superiore +792 7 -17.70 119 -120 203 -204 87 +793 7 -17.70 119 -120 204 -205 87 +794 7 -17.70 119 -120 205 -206 87 +795 7 -17.70 119 -120 206 -207 87 +796 7 -17.70 119 -120 207 -208 87 +797 7 -17.70 119 -120 208 -209 87 +798 7 -17.70 119 -120 209 87 92 -93 94 -95 +c parte inferiore +892 7 -17.70 119 -120 203 -204 -86 +893 7 -17.70 119 -120 204 -205 -86 +894 7 -17.70 119 -120 205 -206 -86 +895 7 -17.70 119 -120 206 -207 -86 +896 7 -17.70 119 -120 207 -208 -86 +897 7 -17.70 119 -120 208 -209 -86 +898 7 -17.70 119 -120 209 -86 92 -93 94 -95 +c sporgenze +952 7 -17.70 119 -120 85 -95 -83 93 +953 7 -17.70 119 -120 -84 94 -83 93 +954 7 -17.70 119 -120 85 -95 82 -92 +955 7 -17.70 119 -120 -84 94 82 -92 +c 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-1.182 122 -125 -500 +611 10 -3.18 125 -126 -500 +641 9 -1.182 126 -123 -500 +642 6 -2.7 123 -124 -500 +c +612 4 4.614e-5 131 -132 -501 +613 9 -1.182 132 -135 -501 +614 10 -3.18 135 -136 -501 +643 9 -1.182 136 -133 -501 +644 6 -2.7 133 -134 -501 +c +621 4 4.614e-5 141 -142 -502 +622 9 -1.182 142 -145 -502 +623 10 -3.18 145 -146 -502 +645 9 -1.182 146 -143 -502 +646 6 -2.7 143 -144 -502 +c +631 4 4.614e-5 151 -152 -503 +632 9 -1.182 152 -155 -503 +633 10 -3.18 155 -156 -503 +647 9 -1.182 156 -153 -503 +648 6 -2.7 153 -154 -503 +c pareti--------da qui cominciano le modifiche--- +655 8 -2.6 (-402:403:-400:401:-404:405) 412 -413 410 -411 414 -415 +656 8 -2.6 (-412:413:-410:411:-414:415) 422 -423 420 -421 424 -425 +657 8 -2.6 (-422:423:-420:421:-424:425) 432 -433 430 -431 434 -435 +658 8 -2.6 (-432:433:-430:431:-434:435) 442 -443 440 -441 444 -445 +659 8 -2.6 (-442:443:-440:441:-444:445) 452 -453 450 -451 454 -455 +660 8 -2.6 (-452:453:-450:451:-454:455) 462 -463 460 -461 464 -465 +661 8 -2.6 (-462:463:-460:461:-464:465) 472 -473 470 -471 474 -475 +c vuoto esterno +600 0 -472:473:-470:471:-474:475 + +c surfaces +c bersaglio +1 py 0.0 +2 py 0.1 +3 py 0.2 +4 py 0.35 +6 py -1.9 +7 cy 1.5 +8 cy 1.6 +9 cy 1.7 +10 cy 1.8 +11 cy 2.4 +12 py -13.5 +13 py -4. +14 2 cx 1.13 +15 2 cx 1.4 +16 2 px 2.0 +17 2 px -2.0 +c piani per definire la pentola e l'esterno +19 cy 17.7 +20 py -8.4 +21 py -14.1 +22 2 p 2.0 0.05 0.0 6.15 1.3 0.0 2.0 0.05 3.0 +23 2 p 2.0 0.20 0.0 6.15 1.4 0.0 2.0 0.20 3.0 +24 2 p 2.0 -0.05 0.0 6.15 -1.3 0.0 2.0 -0.05 3.0 +25 2 p 2.0 -0.15 0.0 6.15 -1.4 0.0 2.0 -0.15 3.0 +26 2 p -2.0 0.05 0.0 -6.15 1.3 0.0 -2.0 0.05 3.0 +27 2 p -2.0 0.20 0.0 -6.15 1.4 0.0 -2.0 0.20 3.0 +28 2 p -2.0 -0.05 0.0 -6.15 -1.3 0.0 -2.0 -0.05 3.0 +29 2 p -2.0 -0.15 0.0 -6.15 -1.4 0.0 -2.0 -0.15 3.0 +30 2 pz 2.0 +31 2 pz 1.9 +32 2 pz -1.9 +33 2 pz -2.0 +34 2 p 2.0 0.0 1.9 6.15 0.0 1.3 2.0 3.0 1.9 +35 2 p 2.0 0.0 2.0 6.15 0.0 1.4 2.0 3.0 2.0 +36 2 p 2.0 0.0 -1.9 6.15 0.0 -1.3 2.0 3.0 -1.9 +37 2 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