MobleyLab / chemper
Showing 1 of 1 files from the diff.

@@ -87,11 +87,11 @@
 87 87 ` a_out = 0` 88 88 ` while smirks.find('\$(') != -1:` 89 89 ` # Find first atom` 90 - ` atom, a_in, a_out = _find_embedded_brackets(smirks, '\[', '\]')` 90 + ` atom, a_in, a_out = _find_embedded_brackets(smirks, r'\[', r'\]')` 91 91 ` d = atom.find('\$(')` 92 92 ` # Find atom with the \$ string embedded` 93 93 ` while d == -1:` 94 - ` atom, temp_in, temp_out = _find_embedded_brackets(smirks[a_out+1:], '\[', '\]')` 94 + ` atom, temp_in, temp_out = _find_embedded_brackets(smirks[a_out+1:], r'\[', r'\]')` 95 95 ` a_in = a_out + temp_in + 1` 96 96 ` a_out += temp_out + 1` 97 97 ` d = atom.find('\$(')`
@@ -109,11 +109,11 @@
 109 109 ` else:` 110 110 ` ring_out = ''` 111 111 112 - ` embedded, p_in, p_out = _find_embedded_brackets(atom, '\(', '\)')` 112 + ` embedded, p_in, p_out = _find_embedded_brackets(atom, r'\(', r'\)')` 113 113 ` # two forms of embedded strings \$(*~stuff) or \$([..]~stuff)` 114 114 ` # in the latter case the first atom refers the current atom` 115 115 ` if embedded[1] == '[':` 116 - ` first, f_in, f_out = _find_embedded_brackets(embedded, '\[','\]')` 116 + ` first, f_in, f_out = _find_embedded_brackets(embedded, r'\[',r'\]')` 117 117 ` first = _convert_embedded_SMIRKS(first)` 118 118 ` new_atom = atom[:d]+first[1:-1]+atom[p_out+1:]` 119 119 ` embedded = embedded[f_out+1:]`
@@ -285,7 +285,7 @@
 285 285 286 286 ` # Add label to the end of SMARTS` 287 287 ` else:` 288 - ` sub_string, start, end = _find_embedded_brackets(smirks, '\[','\]')` 288 + ` sub_string, start, end = _find_embedded_brackets(smirks, r'\[',r'\]')` 289 289 ` if self.ring is not None:` 290 290 ` return sub_string[:-1] + ':' + str(self.index) + ']'+str(self.ring)` 291 291 ` else:`
@@ -470,7 +470,8 @@
 470 470 ` # Generate RegEx string for decorators:` 471 471 ` self.no_bracket_atom_reg = r'('+'|'.join([element_sym, aro_sym, replace_str])+')'` 472 472 ` self.atom_reg = '|'.join([element_num, aro_ali, needs_int,` 473 - ` optional_int, chirality, replace_str, element_sym, aro_sym])` 473 + ` optional_int, chirality, replace_str,` 474 + ` element_sym, aro_sym])` 474 475 ` self.atom_reg = r'('+self.atom_reg+')'` 475 476 476 477 ` # Define bond regular expression options below in order:`
@@ -573,7 +574,7 @@
 573 574 ` store = list() # to store indices while branching` 574 575 ` bondingTo = idx # which atom are we going to bond to` 575 576 576 - ` atom_string, start, end = _find_embedded_brackets(smirks, '\[', '\]')` 577 + ` atom_string, start, end = _find_embedded_brackets(smirks, r'\[', r'\]')` 577 578 578 579 ` if start != 0: # first atom is not in square brackets` 579 580 ` if start != -1:`
@@ -625,7 +626,7 @@
 625 626 ` continue` 626 627 627 628 ` # find beginning and end of next [atom]` 628 - ` atom_string, start, end = _find_embedded_brackets(leftover, '\[', '\]')` 629 + ` atom_string, start, end = _find_embedded_brackets(leftover, r'\[', r'\]')` 629 630 630 631 ` if start != -1: # no more square brackets` 631 632 ` bond_string = leftover[:start]`
Files Coverage
chemper 89.40%
Project Totals (11 files) 89.40%
578.3
```TRAVIS_OS_NAME=linux
```
578.6
```TRAVIS_PYTHON_VERSION=3.6
TRAVIS_OS_NAME=linux
```
578.2
```TRAVIS_OS_NAME=osx
```
578.4
```TRAVIS_PYTHON_VERSION=3.6
TRAVIS_OS_NAME=linux
```
rmb2c3lug7acw77g
578.1
```TRAVIS_OS_NAME=osx
```
578.5
```TRAVIS_OS_NAME=osx
```
578.7
```TRAVIS_PYTHON_VERSION=3.6
TRAVIS_OS_NAME=linux
```
8vas7q3ivl3bh6x9
 1 ```coverage: ``` 2 ``` ignore: ``` 3 ``` - test/.* ``` 4 ``` - compare/.* ``` 5 ``` - test_helper.py ``` 6 ``` - setup.py ``` 7 ``` status: ``` 8 ``` patch: false ``` 9 ``` project: ``` 10 ``` default: ``` 11 ``` threshold: 80% ``` 12 ```comment: ``` 13 ``` layout: "header" ``` 14 ``` require_changes: false ``` 15 ``` branches: null ``` 16 ``` behavior: default ``` 17 ``` flags: null ``` 18 ``` paths: null ```
Sunburst
The inner-most circle is the entire project, moving away from the center are folders then, finally, a single file. The size and color of each slice is representing the number of statements and the coverage, respectively.
Icicle
The top section represents the entire project. Proceeding with folders and finally individual files. The size and color of each slice is representing the number of statements and the coverage, respectively.
Grid
Each block represents a single file in the project. The size and color of each block is represented by the number of statements and the coverage, respectively.