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tests(polychem): update snapshots for new miette
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TheLostLambda committed Mar 27, 2024
1 parent 8cbce4a commit 23a4093
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Showing 71 changed files with 194 additions and 168 deletions.
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Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × expected a decimal number, found boolean
Error:
× expected a decimal number, found boolean
╭─[test:1:10]
1lossless true
· ──┬─
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Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × no type for Decimal, found pi
Error:
× no type for Decimal, found pi
╭─[test:1:10]
1lossless (pi)3.14
· ──┬─
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Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × an error occured during scalar conversion
Error:
× an error occured during scalar conversion
╰─▶ × Scale exceeds the maximum precision allowed: 42 > 28

╭─[test:1:10]
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Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × an error occured during scalar conversion
Error:
× an error occured during scalar conversion
╰─▶ × Number has a high precision that can not be represented.

╭─[test:1:10]
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Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × an error occured during scalar conversion
Error:
× an error occured during scalar conversion
╰─▶ × expected a single uppercase ASCII letter optionally followed by a
lowercase ASCII letter, got "dt"

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Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × an error occured during scalar conversion
Error:
× an error occured during scalar conversion
╰─▶ × expected a single uppercase ASCII letter optionally followed by a
lowercase ASCII letter, got "DT"

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Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × at least one child node `isotope` is required
Error:
× at least one child node `isotope` is required
╭─[test:1:1]
1 │ ╭─▶ D "Deuterium" {
2 │ │ // isotope 2 2.01410177812 1
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Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × an error occured during scalar conversion
Error:
× an error occured during scalar conversion
╰─▶ × expected a single uppercase ASCII letter optionally followed by a
lowercase ASCII letter, got "d"

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Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × an error occured during scalar conversion
Error:
× an error occured during scalar conversion
╰─▶ × expected a single lowercase ASCII letter, got "pr"

╭─[test:1:1]
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Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × an error occured during scalar conversion
Error:
× an error occured during scalar conversion
╰─▶ × expected a single uppercase ASCII letter optionally followed by a
lowercase ASCII letter, got "Deu"

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Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,8 @@ expression: out
---
× error parsing KDL

Error: × an error occured during scalar conversion
Error:
× an error occured during scalar conversion
╰─▶ × expected a single lowercase ASCII letter, got "P"

╭─[test:1:1]
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Expand Up @@ -17,8 +17,7 @@ expression: out
· ╰── expected non-zero
╰────
help: a 0 value doesn't make sense here, if you've mistakenly included
a
leading zero, like NH02, try just NH2 instead
a leading zero, like NH02, try just NH2 instead

╭────
1 │ [0H2O
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Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ expression: out
╰─▶ × the element "Yh" could not be found in the supplied atomic database
help: double-check for typos, or add a new entry to the atomic
database
database

╭────
1NH2[99Tc]YhO4
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Expand Up @@ -7,18 +7,22 @@ expression: out
particle offset), or a standalone particle offset
╰─▶ × attempted 2 parse branches unsuccessfully

Error: × expected an element (like Au) or an isotope (like [15N])
optionally
Error:
× expected an element (like Au) or an isotope (like [15N]) optionally
followed by a number
╰─▶ × attempted 2 parse branches unsuccessfully

Error: × expected an element symbol
Error:
× expected an element symbol
╰─▶ × expected an uppercase ASCII letter

Error: × expected '[' to open isotope brackets

Error: × expected a particle (like p or e), optionally preceded by
a number
Error:
× expected '[' to open isotope brackets


Error:
× expected a particle (like p or e), optionally preceded by a number
├─▶ × expected a particle symbol
╰─▶ × expected a lowercase ASCII letter
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Original file line number Diff line number Diff line change
Expand Up @@ -9,8 +9,7 @@ expression: out
│ │ followed by a number
╰─▶ × no natural abundance data could be found for Technetium (Tc), though
the
following isotopes were found: [97, 98, 99]
the following isotopes were found: [97, 98, 99]
help: consider explicitly selecting the isotope to be used in mass
calculationse.g. [97Tc]

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Original file line number Diff line number Diff line change
Expand Up @@ -9,8 +9,7 @@ expression: out
│ │ followed by a number
╰─▶ × no natural abundance data could be found for Polonium (Po), though
the
following isotopes were found: [209, 210]
the following isotopes were found: [209, 210]
help: consider explicitly selecting the isotope to be used in mass
calculationse.g. [209Po]

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Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@ expression: out
╰─▶ × the particle "m" could not be found in the supplied atomic database
help: double-check for typos, or add a new entry to the atomic
database
database

╭────
1NH2[99Tc]O4-8m+2p
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Original file line number Diff line number Diff line change
Expand Up @@ -7,18 +7,22 @@ expression: out
particle offset), or a standalone particle offset
╰─▶ × attempted 2 parse branches unsuccessfully

Error: × expected an element (like Au) or an isotope (like [15N])
optionally
Error:
× expected an element (like Au) or an isotope (like [15N]) optionally
followed by a number
╰─▶ × attempted 2 parse branches unsuccessfully

Error: × expected an element symbol
Error:
× expected an element symbol
╰─▶ × expected an uppercase ASCII letter

Error: × expected '[' to open isotope brackets

Error: × expected a particle (like p or e), optionally preceded by
a number
Error:
× expected '[' to open isotope brackets


Error:
× expected a particle (like p or e), optionally preceded by a number
├─▶ × expected a particle symbol
╰─▶ × expected a lowercase ASCII letter
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -7,18 +7,22 @@ expression: out
particle offset), or a standalone particle offset
╰─▶ × attempted 2 parse branches unsuccessfully

Error: × expected an element (like Au) or an isotope (like [15N])
optionally
Error:
× expected an element (like Au) or an isotope (like [15N]) optionally
followed by a number
╰─▶ × attempted 2 parse branches unsuccessfully

Error: × expected an element symbol
Error:
× expected an element symbol
╰─▶ × expected an uppercase ASCII letter

Error: × expected '[' to open isotope brackets

Error: × expected a particle (like p or e), optionally preceded by
a number
Error:
× expected '[' to open isotope brackets


Error:
× expected a particle (like p or e), optionally preceded by a number
├─▶ × expected a particle symbol
╰─▶ × expected a lowercase ASCII letter
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -7,18 +7,22 @@ expression: out
particle offset), or a standalone particle offset
╰─▶ × attempted 2 parse branches unsuccessfully

Error: × expected an element (like Au) or an isotope (like [15N])
optionally
Error:
× expected an element (like Au) or an isotope (like [15N]) optionally
followed by a number
╰─▶ × attempted 2 parse branches unsuccessfully

Error: × expected an element symbol
Error:
× expected an element symbol
╰─▶ × expected an uppercase ASCII letter

Error: × expected '[' to open isotope brackets

Error: × expected a particle (like p or e), optionally preceded by
a number
Error:
× expected '[' to open isotope brackets


Error:
× expected a particle (like p or e), optionally preceded by a number
├─▶ × expected a particle symbol
╰─▶ × expected a lowercase ASCII letter
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,7 @@ expression: out
╰─▶ × counts cannot start with 0
help: a 0 value doesn't make sense here, if you've mistakenly included
a
leading zero, like NH02, try just NH2 instead
a leading zero, like NH02, try just NH2 instead

╭────
1C3H0N4
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Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,7 @@ expression: out
╰─▶ × counts cannot start with 0
help: a 0 value doesn't make sense here, if you've mistakenly included
a
leading zero, like NH02, try just NH2 instead
a leading zero, like NH02, try just NH2 instead

╭────
1C3H06N4
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Original file line number Diff line number Diff line change
Expand Up @@ -9,10 +9,10 @@ expression: out
│ │ followed by a number
╰─▶ × the isotope "Tc-100" could not be found in the supplied atomic
database,
though the following Technetium isotopes were found: [97, 98, 99]
database, though the following Technetium isotopes were found: [97,
98, 99]
help: double-check for typos, or add a new entry to the atomic
database
database

╭────
1NH2[100Tc]O4
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Original file line number Diff line number Diff line change
Expand Up @@ -7,5 +7,4 @@ expression: out
residue 2 (Alanine) due to an issue with the donor
╰─▶ × residue 1 does not belong to the current polymer
help: the referenced residue was likely created by a different
Polymerizer
instance
Polymerizer instance
Original file line number Diff line number Diff line change
Expand Up @@ -6,4 +6,4 @@ expression: out
× failed to form "Peptide" bond between residue 2 (Alanine) and residue 3
│ (N-Acetylglucosamine) due to an issue with the acceptor
╰─▶ × the functional group "Amino" at="N-Terminal" does not exist on
residue 3
residue 3
Original file line number Diff line number Diff line change
Expand Up @@ -6,5 +6,4 @@ expression: out
× failed to form "Stem" bond between residue 1 (N-Acetylmuramic Acid) and
residue 2 (Alanine) due to an issue with the donor
╰─▶ × the functional group "Carboxyl" at="Lactyl Ether" of residue 1 was
already
a donor, but must be free
already a donor, but must be free
Original file line number Diff line number Diff line change
Expand Up @@ -5,6 +5,9 @@ expression: out
---
× failed to find multiple of the requested free groups

Error: × the functional group "Hydroxyl" at="Nonreducing End" of residue 1 was
Error:
× the functional group "Hydroxyl" at="Nonreducing End" of residue 1 was
already an acceptor, but must be free
Error: × the functional group "Amino" at="N-Terminal" does not exist on residue 1

Error:
× the functional group "Amino" at="N-Terminal" does not exist on residue 1
Original file line number Diff line number Diff line change
Expand Up @@ -7,5 +7,4 @@ expression: out
Acetylmuramic Acid)
╰─▶ × residue 1 does not belong to the current polymer
help: the referenced residue was likely created by a different
Polymerizer
instance
Polymerizer instance
Original file line number Diff line number Diff line change
Expand Up @@ -6,5 +6,4 @@ expression: out
× failed to apply the modification O-Acetylation (Ac) to residue 1 (N-
Acetylmuramic Acid)
╰─▶ × expected a target matching "Hydroxyl" at="6-Position", got
"Hydroxyl"
at="Reducing End" of="N-Acetylmuramic Acid"
"Hydroxyl" at="Reducing End" of="N-Acetylmuramic Acid"
Original file line number Diff line number Diff line change
Expand Up @@ -6,5 +6,4 @@ expression: out
× failed to apply the modification 1,6-Anhydro (Anh) to residue 1 (N-
Acetylmuramic Acid)
╰─▶ × the functional group "Hydroxyl" at="Reducing End" of residue 1 was
already
modified, but must be free
already modified, but must be free
Original file line number Diff line number Diff line change
Expand Up @@ -7,5 +7,4 @@ expression: out
Acetylmuramic Acid)
╰─▶ × expected a target matching "Hydroxyl" at="Reducing End" of="N-
Acetylmuramic Acid", got "Hydroxyl" at="6-Position" of="N-
Acetylmuramic
Acid"
Acetylmuramic Acid"
Original file line number Diff line number Diff line change
Expand Up @@ -7,11 +7,11 @@ expression: out
Acetylmuramic Acid)
╰─▶ × failed to find multiple of the requested free groups

Error: × the functional group "Hydroxyl" at="Reducing End" of residue
1 was already
modified, but must be free
Error: × expected a target matching "Hydroxyl" at="Reducing
End" of="N-
Error:
× the functional group "Hydroxyl" at="Reducing End" of residue 1 was
already modified, but must be free

Error:
× expected a target matching "Hydroxyl" at="Reducing End" of="N-
Acetylmuramic Acid", got "Hydroxyl" at="6-Position" of="N-
Acetylmuramic
Acid"
Acetylmuramic Acid"
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