Template:Chem2/testcases

Proposal: add parameter checks

-12:26, 6 March 2023 (UTC)

•  Proposal on hold

Waiting for Template talk:Chem2 § Must preserve minus signs in subscripts to be finished -DePiep (talk) 09:24, 28 February 2023 (UTC)

See talk Template talk:Chem2 § Proposal: add parameter checks

Prepared in {{Chem2/sandbox2}}. -DePiep (talk) 09:24, 28 February 2023 (UTC)

Tests (also by Preview)

• Example, by /sandbox2:

{{chem2/sandbox2|foo=H2O|1=A_{x}H_{1-x}}}

→ A_xH_{−1x}

to check (negative check expected): "A{B{Q}" -- error all right, but for other reason (unbalanced, & end-bracket). Effect is OK.

→ A{B{Q}

→ A{B

pattern: ><

-DePiep (talk) 05:49, 1 March 2023 (UTC)

subscript hyphen (Feb 2023)

-DePiep (talk) 19:47, 27 February 2023 (UTC)

• Issue: Template talk:Chem2 § Must preserve minus signs in subscripts

{{Chem2/sandbox}} initially: now has Module:Chem2/sandbox (from live source code).

Template styles: Module:Chem2/styles.css (Chem2/sandbox/styles.css diff)

Bug reproduction:

(A) code: {{chem2|A_{''x''}H_{1-''x''}|}} → A_xH_1−x (current live result)

Hardcoded result from expanded live template (19:36, 27 February 2023): A_xH_1-x

(B, {chem2/sandbox} live): A_xH_1−x

Characters involved:

(H) U+002D - HYPHEN-MINUS → A_xH_1−x

(M) U+2212 − MINUS SIGN (&minus;) → A_xM_1−x

• Done /sandbox: L239, % not \ (tot test; errors from live code?)

L250, L251

• what's with \s, \-
• whatwhen entering &minus; ?

tests

• Module:Chem2, Module:Chem2/sandbox (diff)

tst setup: {{chem2|1=A^{1-''y''}B_{1-''x''}H|2=}} (H, M)

test minus M>−< vs, hyphen H>-<:

live, in:H>-<: A^1−yB_1−xH²⁻

/sbx, in:H>-<: A^1−yB_1−xH²⁻

live, in:M>−<: A^1−yB_1−xM²⁻

/sbx, in:M>−<: A^1−yB_1−xM²⁻

All sup/sub returns (8) are U+002d hyphen N

All (4) 2- charge returnsa are U+2212 Y

-DePiep (talk) 20:36, 27 February 2023 (UTC)

• Entering −

live, in:>&minus;<: A^1−yB_1−xM²⁻ -- incidentally, returns as expected ..

/sbx, in:>&minus;<: A^1−yB_1−xM²⁻

Entering β

live, in:>&beta;<: A^1βyB_1βxM(₂β)

/sbx, in:>&beta;<: A^1βyB_1βxM(₂β)

• lol from doc: use \s, \-

live, in:H>\-<: A^1\−yB_1\−xH(₂-)

/sbx, in:H>\-<: A^1\−yB_1\−xH(₂-)

live, in:M>\s<: A^1\syB_1\sxM(₂−)

/sbx, in:M>\s<: A^1\syB_1\sxM(₂−)

talk: Must preserve minus signs in subscripts

talk: debugging & tests

see /testcases at § subscript hyphen (Feb 2023)

• More research:

Test string to be (rule: when final-} in formula input, end pipe }|}} is required):

(A) {{chem2|A_{''x''}H_{1-''x''}|}} → A_xH_1−x

Characters involved:

(H) U+002D - HYPHEN-MINUS → A_xH_1−x

(M) U+2212 − MINUS SIGN (&minus;) → A_xM_1−x

re MSGJ: by reading the code, none of the lines 277 (good replacement), 288 (good replacement), 294 (hyphen only) seem to make the wrong replacement.

-DePiep (talk) 19:02, 27 February 2023 (UTC)

code review:

• L239 (current live): if not x then x = f:match('^\^{[^}]*}', i); t = T_CARET; end -- ^{...}

^\^{[^}]*} ? expected ^^{[^}]*} (Lua pattern not regex; module preview reports Error: [239:42] invalid escape sequence near '\^'. (Errors from this, missed? hidden?) edited in sandboxDePiep (talk) 19:57, 27 February 2023 (UTC)

• test code to be:

{{chem2|1=A^{1-''y''}B_{1-''x''}H(2-)}}

Three minus/hyphen signs input, expected result: all three Minus (M). Current live test:

Live M>−<: A^1−yB_1−xM²⁻

returns H, H, M. sup/sub issue. -DePiep (talk) 20:43, 27 February 2023 (UTC)

talk: Bug report

• See /testcases at § subscript hyphen (Feb 2023). module:Chem2, current live code.

(H) U+002D - HYPHEN-MINUS

(M) U+2212 − MINUS SIGN (&minus;)

From original report (OP); B2-B (demo/test inline) and (4-) (charge) added as extra testcases (situations 1–4 now).

In the tests here, B2-B is added and is not targeted (no changes claimed nor expected; ignored in conclsions)

{{chem2|1=HA^{''1-x''}B2-B_{3-''x''}(4-)}}

{{chem2|1=HA^{1-x}B2-B_{3-x}(4-)}}

in H>-<: HA^1−xB−2B_3−x⁴⁻ -- N MINUS expected

in M>−<: MA^1−xB−2B_3−x⁴⁻ -- N MINUS expected

(A) Original complaint

MINUS (−) not kept when in (topically correct) sub/supscripted formula is entered; shows hyphen (-) instead.

Cause: {{Chem2}} early replaces NDASH and MINUS with HYPHEN, to be treatred similar (see code L250, 251).

When as charge, the hyphen is changed into MINUS all right, but no such replacement in the supsubscripts.

Proposed solution: in T_CARET and T_UNDERSCORE change any hyphen (from early replacement) into MINUS [1].

live, in:H>-<: HA^1−xB−2B_3−x⁴⁻

/sbx, in:H>-<: HA^1−xB−2B_3−x⁴⁻

live, in:M>−<: MA^1−xB−2B_3−x⁴⁻

/sbx, in:M>−<: MA^1−xB−2B_3−x⁴⁻

Showing: current live version returns HYPHEN in subsuptexts; correct MINUS inline and in the "(2-)" charge). All irrespective of input character.

(B) Handling of HTML entities (&minus;)

When entering like − (for character MINUS), it is not handled as the character.

Incidentally, this preserves the MINUS character as asked for in the OP (undocumented 'solution', hack).

However, not documented and would give different results between input − vs. −. Also, other codes entries could be affected.

Proposed solution: add early decoding mw.text.decode() [2].

• Entering HTML Entity −

live, in:>&minus;<: EA^1−xB−2B_3−x⁴⁻ -- incidentally, returns as expected

/sbx, in:>&minus;<: EA^1−xB−2B_3−x⁴⁻

Entering β

live, in:>&beta;<: EA^1βxB₂βB_3βx(₄β) -- as expected :/sbx, in:>&beta;<: EA^1βxB₂βB_3βx(₄β) -- same result (returns decoded &beta; to UA: decoded later)

(C) Bad code

L239: if not x then x = f:match('^\^{[^}]*}', i); t = T_CARET; end   -- ^{...}

Parser gives error: '^\^{[^}]*}' has incorrect "\" (note: expected is Lua pattern not Regex). Saves with error (-warning).

No error effects (in pages) known, nor seen in testpage.

From Lua documentation mw:Lua manual: "At other positions, '^' and '$' have no special meaning and represent themselves". That is: the second caret should represent the input character (to indicate superscript).

Proposed solution: Remove the slash: [3]. No effects in tests seen.

Testcases: see superscripts (CARET input) throughout.

Late note 29 March 2023, from mw:Lua_reference_manual § string: the code \^ is not required to escape the literal character in Lua code (as opposed to e.g., \"). -DePiep (talk) 05:04, 29 March 2023 (UTC)

(D) Escape codes limitations

The /documentation mentions \s, \- for input "single bond" (topical term) and "hyphen" when used in line. However, they don't work as expected when in sup/subscripted text (as in OP).

Proposed solution: the escape codes are not developed to function more widely. Instead, documentation to be improved (mention limitations).

• From doc: use \s, \- slashed escape code (note: "B2-B" as expected)

live, in:>\s<: SsA^1\sxB₂−B_3\sx(₄−)

/sbx, in:>\s<: SsA^1\sxB₂−B_3\sx(₄−)

live, in:>\-<: ShA^1\−B₂-B_3\−x(₄-)

/sbx, in:>\-<: ShA^1\−B₂-B_3\−x(₄-)

-DePiep (talk) 00:06, 28 February 2023 (UTC)

(T) more tests: bare hyphen: input without no preceding number etc in text element (eg, charge "(-)"):

HA^−x−B_−x⁻

HA^−x−B_−x⁻

MA^−x−B_−x⁻

MA^−x−B_−x⁻

EA^−x−B_−x⁻ -- &minus;

EA^−x−B_−x⁻

Adjustmensts, refining testcases, spell uc MINUS etc, create 4 numberred testsituations DePiep 05:41, 28 February 2023

For more bare "-" input tests (not "2-" &tc;), see /testcases (UTC), -DePiep (talk) 06:36, 28 February 2023 (UTC)

(T2) added in /testcases

(T2) more bare tests FWIW: rm italice, (), use \s \-

live

HA^−x−B_−x⁻

MA^−x−B_−x⁻

SsA^\sx−B_\sx−

ShA^\−x-B_\−x-

SsA^\sx−B_\sx(−)

ShA^\−x-B_\−x(-)

/sbox

HA^−x−B_−x⁻

MA^−x−B_−x⁻

SsA^\sx−B_\sx−

ShA^\−x-B_\−x-

SsA^\sx−B_\sx(−)

ShA^\−x-B_\−x(-)

Proposal (code edit)

From the Report above, I propose to oconsider: edit all code from module:Chem2/sandbox into module:Chem2 (diff).

Note: the (B) may change behaviour (instances relying on undocumented effects). Conservation action needed? OTOH, when entering &minus;, what else should be expected than MINUS?

Also, I'd like to have chemicist eyes taking a look.

More tests at the Template:Chem2/testcases.

-DePiep (talk) 00:06, 28 February 2023 (UTC)

ping|Christian75|Mikhail Ryazanov|MSGJ demos and tests stable & ok now, please take a look. -DePiep (talk) 06:41, 28 February 2023 (UTC)

doc input-code table (Feb 2023)

Formula punctuation (Chem2 live)

^ If the last character of the template input is }, MediaWiki will confuse it with the end-of-template tag }}. Adding a space between the two resolves this ambiguity. Other options include instead inserting {{null}} or <nowiki/>.

Formula punctuation (Chem2/sandbox)

^ If the last character of the template input is }, MediaWiki will confuse it with the end-of-template tag }}. Adding a space between the two resolves this ambiguity. Other options include instead inserting {{null}} or <nowiki/>.

from Doc

{{Chems}}

^ If the last character of the template input is }, MediaWiki will confuse it with the end-of-template tag }}. Adding | between the two resolves this ambiguity. Other options include instead inserting (space), {{null}} or <nowiki/>.

Formulas (without charge) are just written. Eg.:

• {{chem2|CH3(CH2)5CH3}} gives CH₃(CH₂)₅CH₃
• {{chem2|Fe3S2(CO)9}} gives Fe₃S₂(CO)₉
• {{chem2|C_{''n''}H_{2''n''+2}|}} gives C_nH_2n+2

Charges are written inside parenthesis, otherwise its treated as +1 or −1, e.g.:

• {{chem2|Na+}} gives Na⁺
• {{chem2|O2-}} gives O−2 but can be written as {{chem2|O2(-)}} too.
• {{chem2|SO4(2-)}} gives SO2−4
• {{chem2|S19(2+)}} gives S2+19

Chemical equations can be written too. E.g.:

• {{chem2|2 S + 3 O2 + 2 H2O -> 2 H2SO4}} gives 2 S + 3 O₂ + 2 H₂O → 2 H₂SO₄
• {{chem2|2S + 3O2 + 2H2O -> 2H2SO4}} gives 2S + 3O₂ + 2H₂O → 2H₂SO₄

The arrows can be written as -> or just →. All characters (and unicode markup) are valid input except \, = (Mediawiki use it), _ and - (endash etc.)

• {{chem2|2 H2_{(g)} + O2_{(g)} -> 2H2O_{(g)}|}} gives 2 H_2(g) + O_2(g) → 2H₂O_(g)
• {{chem2|NH2RCHCO2H <-> NH3+RCHCO2-}} gives NH₂RCHCO₂H ⇌ NH+3RCHCO−2

Hapticity and mu:

• {{chem2|W(CO)3(PiPr3)2(\h{2}\-H2)}} gives W(CO)₃(PiPr₃)₂(η²--H₂)
• {{chem2|auto=yes|W(CO)3(PiPr3)2(\h{2}\-H2)}} gives W(CO)₃(PiPr₃)₂(η²--H₂)

Links: Use link=<wiki page> or ordinary wiki link ([[ and ]]), e.g.:

• {{chem2|link=Iron(III) chloride|FeCl3}} gives FeCl₃
• {{chem2|3[[hydrogen|H2]] + 2[[nitrogen|N2]] <-> 2[[ammonia|NH3]]}} gives 3H₂ + 2N₂ ⇌ 2NH₃

Auto links: Automatic link elements: Use auto=<something> (e.g. yes):

• {{chem2|auto=yes|CH3CH2CH3CBrFCIClCH3}} gives CH₃CH₂CH₃CBrFCIClCH₃

All /sandbox

{{Chems/sandbox}}

^ If the last character of the template input is }, MediaWiki will confuse it with the end-of-template tag }}. Adding | between the two resolves this ambiguity. Other options include instead inserting (space), {{null}} or <nowiki/>.

/doc

using /sandbox

/doc Formula punctuation

^ If the last character of the template input is }, MediaWiki will confuse it with the end-of-template tag }}. Adding a space between the two resolves this ambiguity. Other options include instead inserting {{null}} or <nowiki/>.

/doc Formulas, charges, equations

Formulas (without charge) are just written:

• {{chem2|CH3(CH2)5CH3}} → CH₃(CH₂)₅CH₃
• {{chem2|Fe3S2(CO)9}} → Fe₃S₂(CO)₉
• {{chem2|C_{''n''}H_{2''n''+2}|}} → C_nH_2n+2

Charges are written inside parentheses:

• {{chem2|SO4(2-)}} → SO2−4
• {{chem2|S19(2+)}} → S2+19

Charges +1 and −1 can be written plain:

• {{chem2|Na+}} → Na⁺
• {{chem2|O2-}} → O−2

equals {{chem2|O2(-)}}

Chemical equations:

• {{chem2|2 S + 3 O2 + 2 H2O -> 2 H2SO4}} → 2 S + 3 O₂ + 2 H₂O → 2 H₂SO₄
• {{chem2|2S + 3O2 + 2H2O -> 2H2SO4}} → 2S + 3O₂ + 2H₂O → 2H₂SO₄

The arrows can be written as -> or just →. All characters (and unicode markup) are valid input except \, = (Mediawiki use it), _ and - (endash etc.)

• {{chem2|2 H2_{(g)} + O2_{(g)} -> 2H2O_{(g)}|}} → 2 H_2(g) + O_2(g) → 2H₂O_(g)
• {{chem2|NH2RCHCO2H <-> NH3+RCHCO2-}} → NH₂RCHCO₂H ⇌ NH+3RCHCO−2

Hapticity and mu:

• {{chem2|W(CO)3(PiPr3)2(\h{2}H2)}} → W(CO)₃(PiPr₃)₂(η²-H₂)
• {{chem2|auto=yes|W(CO)3(PiPr3)2(\h{2}H2)}} → W(CO)₃(PiPr₃)₂(η²-H₂)

/doc Wikilinks

/doc Whole formula link

Link the whole formula with |link=<wiki pagename>:

• {{chem2|FeCl3|link=Iron(III) chloride}} → FeCl₃

Or use wikilink brackets in input like [[ammonia|NH3]]:

• {{chem2|3[[hydrogen|H2]] + 2[[nitrogen|N2]] <-> 2[[ammonia|NH3]]}} → 3H₂ + 2N₂ ⇌ 2NH₃

/doc Link each element (C, Hg) and generic element code (R, X)

Use |auto=yes to link each element symbol once, as well as some others such as Ph

• {{chem2|CH3CH2CH3CBrFCIClCH3|auto=yes}} → CH₃CH₂CH₃CBrFCIClCH₃

/doc Link functional groups

Some common groups are recognized and linked if you wikilink them using [[ ]]

• {{chem2|R\-[[COOH]]}} → R-
  COOH
• {{chem2|[[CH3]]C[[R]]2[[I]]}} → CH₃CR₂I
• In particular H2O links to water of crystallization in {{chem2|CuSO4 * 5 [[H2O]]}} → CuSO₄ · 5 H₂O, because a link to water is generally unnecessary.

You can link to any article even if chem2 is unaware of it:!-- same as |link=... then -->

• {{chem2|[[C6H5NH2]]}} →
  C₆H₅NH₂

To change the default link:

• {{chem2|[[water|H2O]]}} → H₂O

/doc All recognised symbols and codes

/doc Examples

• {{chem2|[Cl4Re\qReCl4](2−)|}} gives [Cl₄Re≣ReCl₄]²⁻
• {{chem2|[Cl4Re\qReCl4](2-)|}} gives [Cl₄Re≣ReCl₄]²⁻
• {{chem2|NH2RCHCO2H <-> NH3+RCHCO2−}} gives NH₂RCHCO₂H ⇌ NH+3RCHCO−2

• {{chem2|\\hallo}} gives \hallo
• {{chem2|H3CC\tCH <-> H2C\dC\dCH2}} gives H₃CC≡CH ⇌ H₂C=C=CH₂
• {{chem2|4 NH3 + 5 O2 -> 4 NO + 6 H2O}} gives 4 NH₃ + 5 O₂ → 4 NO + 6 H₂O

• "H2O &#8594; H2O" is H₂O → H₂O
• "H2O_{(l)} -> H2O_{(g)}" is H₂O_(l) → H₂O_(g)

• "4 NH3 + 5 O2 → 4 NO + 6 H2O" is 4 NH₃ + 5 O₂ → 4 NO + 6 H₂O
• " 4 NH3 + 5 O2 → 4 NO + 6 H2O" is 4 NH₃ + 5 O₂ → 4 NO + 6 H₂O
• " 4NH3 + 5O2 → 4NO + 6H2O" is 4NH₃ + 5O₂ → 4NO + 6H₂O
• " 2Mn2(+)" is 2Mn+2
• " 2Mn2(+) + 3H2O" is 2Mn+2 + 3H₂O
• Mn– is Mn⁻

• Mn2(2-) is Mn2−2
• Mn2☃+ is Mn₂☃⁺, Mn2(2–) is Mn2−2, Mn2(2☃–) is Mn₂(₂☃⁻)
• Mn2(+) is Mn+2
• Mn2+ is Mn+2
• Mn2(-) is Mn−2
• Mn2- is Mn−2

• {{chem2|C_{''n''}H_{2''n'' + 2}|}} gives C_nH_2n + 2
• {{chem2|C_{abc}|}} gives C_abc
• (chem gives C
  _nH
  _2n + 2)
• {{chem2|CoCl2*1.5H2O}} gives CoCl₂·1.5H₂O
• Mn22– is Mn−22
• Cu2C2*H2O is Cu₂C₂·H₂O

Special

• {{chem2|[Me2Al(\m{2}Me)]2}} gives [Me₂Al(μ₂-Me)]₂
• {{chem2|^{13}CO2}} gives ¹³CO₂
• {{chem2|auto=yes|^{13}CO2}} gives ¹³CO₂
• {{chem2|\h{5}(C5H5)2TiCl2}} gives η⁵-(C₅H₅)₂TiCl₂
• {{chem2|\h{5}\s(C5H5)}} gives η⁵-−(C₅H₅)
• {{chem2|CH2\dCH2\sCH2\sC\tCH\qMn}} is CH₂=CH₂−CH₂−C≡CH≣Mn

• {{chem2|RC(OR’)3}} gives RC(OR’)₃
• {{chem2|C\\C}} gives C\C
• {{chem2|C2*NH3}} gives C₂·NH₃
• {{chem2|C2*2NH3}} gives C₂·2NH₃
• {{chem2|C1.2H3.5}} gives C_1.2H_3.5

• {{chem2|12|6|C}} is 12
• {{chem2|12|C}} is 12
• {{chem2|CH3\i{13}CH2CH3}} is CH₃CH₂CH₃
• {{chem2|\{\{abc\}\}}} is AbC
• C2(μ\-C) is C₂(μ-C)

• SO4(2-) is SO2−4
• 2Mn2(2+) is 2Mn2+2
• CH3-CH2-OH is CH−3CH−2OH
• [ZnCl4]- is [ZnCl₄]⁻
• [ZnCl4](2-) is [ZnCl₄]²⁻
• AUTO: ((H2O)5{CoCl2})2 is ((H₂O)₅{CoCl₂})₂
• Si(OH)4 is Si(OH)₄

• AUTO: Cu2C2*H2O is Cu₂C₂·H₂O
• Cu2C2*2H2O is Cu₂C₂·2H₂O
• CuSO*2H2O is CuSO·2H₂O
• CuSO4*15H2O is CuSO₄·15H₂O
• CuSO4(H2O)5 is CuSO₄(H₂O)₅
• H+ + OH- → H2O is H⁺ + OH⁻ → H₂O
• H → O is H → O

• ZxPo4 is ZxPo₄     Unknown element.
• ((Na)Cl is ((Na)Cl     Too many "(".
• Si(OH))4 is Si(OH))₄     Too many ")".
• Si&
  ☃
  Si
• CH₂=CH₂

/doc More

• {{chem2|Cl2O6|link=dichlorine hexoxide}} is Cl₂O₆
• [Fe(Phen)(Phen)3](2+) is [Fe(Phen)(Phen)₃]²⁺
• AUTO: [Fe(Phen)(Phen)3](2+) is [Fe(Phen)(Phen)₃]²⁺
• {{chem2|[C2O2](2+)}} is [C₂O₂]²⁺
• {{chem2|link=Tomato|SI4}} is SI₄
• H2SO4+ is H₂SO+4
• Mn- is Mn⁻
• Mn22+ is Mn+22, Mn22- is Mn−22,
• Mn(2+) is Mn²⁺
• Mn2(+) is Mn+2
• Mn(22-) is Mn²²⁻
• Mn3(22-) is Mn22−3
• Mn(22+) is Mn²²⁺
• Mn2(22+) is Mn22+2
• Mn2(2+) is Mn2+2
• Mn22(2+) is Mn2+22

Predefined codes (groups etc.)

/doc Line wrapping

Automated testcases

autodoc

• {{#invoke:chem2|_autodoc}} →

Adds sections:

 === Elements and element-style symbols ===
 === Groups ===

(start of autodoc)

(end of autodoc)