Last updated on 2021-11-17 06:48:22 CET.
| Flavor | Version | Tinstall | Tcheck | Ttotal | Status | Flags |
|---|---|---|---|---|---|---|
| r-devel-linux-x86_64-debian-clang | 1.2.1 | 31.68 | 318.49 | 350.17 | OK | |
| r-devel-linux-x86_64-debian-gcc | 1.2.1 | 26.78 | 229.83 | 256.61 | ERROR | |
| r-devel-linux-x86_64-fedora-clang | 1.2.1 | 388.30 | ERROR | |||
| r-devel-linux-x86_64-fedora-gcc | 1.2.1 | 373.57 | ERROR | |||
| r-devel-windows-x86_64 | 1.2.1 | 8.00 | 8.00 | 16.00 | ERROR | |
| r-devel-windows-x86_64-gcc10-UCRT | 1.2.1 | OK | ||||
| r-patched-linux-x86_64 | 1.2.1 | 37.41 | 310.03 | 347.44 | OK | |
| r-release-linux-x86_64 | 1.2.1 | 30.63 | 308.14 | 338.77 | OK | |
| r-release-macos-arm64 | 1.2.1 | OK | ||||
| r-release-macos-x86_64 | 1.2.1 | ERROR | ||||
| r-release-windows-ix86+x86_64 | 1.2.1 | 52.00 | 350.00 | 402.00 | OK | |
| r-oldrel-macos-x86_64 | 1.2.1 | ERROR | ||||
| r-oldrel-windows-ix86+x86_64 | 1.2.1 | 51.00 | 397.00 | 448.00 | OK |
Version: 1.2.1
Check: examples
Result: ERROR
Running examples in ‘BioMedR-Ex.R’ failed
The error most likely occurred in:
> base::assign(".ptime", proc.time(), pos = "CheckExEnv")
> ### Name: Constitutional
> ### Title: Calculates the Number of Amino Acids Descriptor
> ### Aliases: Constitutional extrDrugAminoAcidCount
> ### extrDrugAromaticAtomsCount extrDrugAromaticBondsCount
> ### extrDrugAtomCount extrDrugBondCount extrDrugLargestChain
> ### extrDrugLargestPiSystem extrDrugLongestAliphaticChain
> ### extrDrugRotatableBondsCount
> ### Keywords: Acid Aliphatic Amino Aromatic Atom Atoms Bond Bonds Chain
> ### Count Largest Longest Pi Rotatable extrDrugAminoAcidCount
> ### extrDrugAromaticAtomsCount extrDrugAromaticBondsCount
> ### extrDrugAtomCount extrDrugBondCount extrDrugLargestChain
> ### extrDrugLargestPiSystem extrDrugLongestAliphaticChain
> ### extrDrugRotatableBondsCount
>
> ### ** Examples
>
> # Calculates the Number of Amino Acids Descriptor
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugAminoAcidCount(mol)
org.openscience.cdk.io.cml.CMLHandler WARN: Detected unknown convention: cdk:substructureList
> head(dat)
nA nR nN nD nC nF nQ nE
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 0 0 0 0 0 0 0 0
c1(ccc(cc1)O)NC(=O)C 0 0 0 0 0 0 0 0
c1ccccc1NC(=O)C 0 0 0 0 0 0 0 0
nG nH nI nP nL nK nM nS
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 0 0 0 0 0 0 0 0
c1(ccc(cc1)O)NC(=O)C 0 0 0 0 0 0 0 0
c1ccccc1NC(=O)C 0 0 0 0 0 0 0 0
nT nY nV nW
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 0 0 0 0
c1(ccc(cc1)O)NC(=O)C 0 0 0 0
c1ccccc1NC(=O)C 0 0 0 0
>
> # Calculates the Number of Aromatic Atoms Descriptor
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugAromaticAtomsCount(mol)
> head(dat)
naAromAtom
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 16
c1(ccc(cc1)O)NC(=O)C 6
c1ccccc1NC(=O)C 6
>
> # Calculates the Number of Aromatic Bonds Descriptor
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugAromaticBondsCount(mol)
> head(dat)
nAromBond
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 17
c1(ccc(cc1)O)NC(=O)C 6
c1ccccc1NC(=O)C 6
>
> # Calculates the Number of Atom Descriptor
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugAtomCount(mol)
> head(dat)
nAtom
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 41
c1(ccc(cc1)O)NC(=O)C 20
c1ccccc1NC(=O)C 19
>
> # Calculates the Descriptor Based on the Number of Bonds of a
> # Certain Bond Order
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugBondCount(mol)
> head(dat)
nB
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 28
c1(ccc(cc1)O)NC(=O)C 11
c1ccccc1NC(=O)C 10
>
> # Descriptor that Calculates the Number of Atoms in the Largest Chain
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugLargestChain(mol)
> head(dat)
nAtomLC
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 13
c1(ccc(cc1)O)NC(=O)C 8
c1ccccc1NC(=O)C 7
>
> # Descriptor that Calculates the Number of Atoms in the Largest Pi Chain
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugLargestPiSystem(mol)
> head(dat)
nAtomP
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 12
c1(ccc(cc1)O)NC(=O)C 10
c1ccccc1NC(=O)C 9
>
> # Descriptor that Calculates the Number of Atoms in the Longest Aliphatic Chain
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugLongestAliphaticChain(mol)
Error: segfault from C stack overflow
Execution halted
Flavor: r-devel-linux-x86_64-debian-gcc
Version: 1.2.1
Check: examples
Result: ERROR
Running examples in ‘BioMedR-Ex.R’ failed
The error most likely occurred in:
> ### Name: Constitutional
> ### Title: Calculates the Number of Amino Acids Descriptor
> ### Aliases: Constitutional extrDrugAminoAcidCount
> ### extrDrugAromaticAtomsCount extrDrugAromaticBondsCount
> ### extrDrugAtomCount extrDrugBondCount extrDrugLargestChain
> ### extrDrugLargestPiSystem extrDrugLongestAliphaticChain
> ### extrDrugRotatableBondsCount
> ### Keywords: Acid Aliphatic Amino Aromatic Atom Atoms Bond Bonds Chain
> ### Count Largest Longest Pi Rotatable extrDrugAminoAcidCount
> ### extrDrugAromaticAtomsCount extrDrugAromaticBondsCount
> ### extrDrugAtomCount extrDrugBondCount extrDrugLargestChain
> ### extrDrugLargestPiSystem extrDrugLongestAliphaticChain
> ### extrDrugRotatableBondsCount
>
> ### ** Examples
>
> # Calculates the Number of Amino Acids Descriptor
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugAminoAcidCount(mol)
org.openscience.cdk.io.cml.CMLHandler WARN: Detected unknown convention: cdk:substructureList
> head(dat)
nA nR nN nD nC nF nQ nE
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 0 0 0 0 0 0 0 0
c1(ccc(cc1)O)NC(=O)C 0 0 0 0 0 0 0 0
c1ccccc1NC(=O)C 0 0 0 0 0 0 0 0
nG nH nI nP nL nK nM nS
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 0 0 0 0 0 0 0 0
c1(ccc(cc1)O)NC(=O)C 0 0 0 0 0 0 0 0
c1ccccc1NC(=O)C 0 0 0 0 0 0 0 0
nT nY nV nW
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 0 0 0 0
c1(ccc(cc1)O)NC(=O)C 0 0 0 0
c1ccccc1NC(=O)C 0 0 0 0
>
> # Calculates the Number of Aromatic Atoms Descriptor
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugAromaticAtomsCount(mol)
> head(dat)
naAromAtom
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 16
c1(ccc(cc1)O)NC(=O)C 6
c1ccccc1NC(=O)C 6
>
> # Calculates the Number of Aromatic Bonds Descriptor
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugAromaticBondsCount(mol)
> head(dat)
nAromBond
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 17
c1(ccc(cc1)O)NC(=O)C 6
c1ccccc1NC(=O)C 6
>
> # Calculates the Number of Atom Descriptor
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugAtomCount(mol)
> head(dat)
nAtom
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 41
c1(ccc(cc1)O)NC(=O)C 20
c1ccccc1NC(=O)C 19
>
> # Calculates the Descriptor Based on the Number of Bonds of a
> # Certain Bond Order
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugBondCount(mol)
> head(dat)
nB
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 28
c1(ccc(cc1)O)NC(=O)C 11
c1ccccc1NC(=O)C 10
>
> # Descriptor that Calculates the Number of Atoms in the Largest Chain
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugLargestChain(mol)
> head(dat)
nAtomLC
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 13
c1(ccc(cc1)O)NC(=O)C 8
c1ccccc1NC(=O)C 7
>
> # Descriptor that Calculates the Number of Atoms in the Largest Pi Chain
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugLargestPiSystem(mol)
> head(dat)
nAtomP
c1ccc2c(c1)oc(=O)c(C(CC(=O)C)c1ccc([N+](=O)[O-])cc1)c2O 12
c1(ccc(cc1)O)NC(=O)C 10
c1ccccc1NC(=O)C 9
>
> # Descriptor that Calculates the Number of Atoms in the Longest Aliphatic Chain
> smi = system.file('vignettedata/test.smi', package = 'BioMedR')
> mol = readMolFromSmi(smi, type = 'mol')
> dat = extrDrugLongestAliphaticChain(mol)
Error: segfault from C stack overflow
Execution halted
Flavors: r-devel-linux-x86_64-fedora-clang, r-devel-linux-x86_64-fedora-gcc
Version: 1.2.1
Check: whether package can be installed
Result: ERROR
Installation failed.
Flavor: r-devel-windows-x86_64
Version: 1.2.1
Check: package dependencies
Result: ERROR
Packages required but not available: 'ChemmineR', 'fmcsR', 'org.Hs.eg.db'
See section ‘The DESCRIPTION file’ in the ‘Writing R Extensions’
manual.
Flavor: r-release-macos-x86_64
Version: 1.2.1
Check: package dependencies
Result: ERROR
Packages required but not available: 'ChemmineR', 'fmcsR'
See section ‘The DESCRIPTION file’ in the ‘Writing R Extensions’
manual.
Flavor: r-oldrel-macos-x86_64